(1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol

C29H39N5O3S — CID 10209006

IUPAC(1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol
SMILESCC(C)(Cc1ccc(NS(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1)NC[C@H](O)c1cccnc1
InChIInChI=1S/C29H39N5O3S/c1-29(2,31-21-28(35)25-9-6-16-30-20-25)19-23-10-12-26(13-11-23)32-38(36,37)33-27-14-17-34(18-15-27)22-24-7-4-3-5-8-24/h3-13,16,20,27-28,31-33,35H,14-15,17-19,21-22H2,1-2H3/t28-/m0/s1
InChIKeyDMUIYENJSIJDHI-NDEPHWFRSA-N
MW537.73 g/mol
LogP3.64
Rot. Bonds12

About (1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol

(1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol (PubChem CID 10209006) has the molecular formula C29H39N5O3S and a molecular weight of 537.73 g/mol. Its IUPAC name is (1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol
PubChem CID10209006
Molecular FormulaC29H39N5O3S
Molecular Weight537.73 g/mol
Exact Mass537.28
IUPAC Name(1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol
SMILESCC(C)(Cc1ccc(NS(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1)NC[C@H](O)c1cccnc1
InChIInChI=1S/C29H39N5O3S/c1-29(2,31-21-28(35)25-9-6-16-30-20-25)19-23-10-12-26(13-11-23)32-38(36,37)33-27-14-17-34(18-15-27)22-24-7-4-3-5-8-24/h3-13,16,20,27-28,31-33,35H,14-15,17-19,21-22H2,1-2H3/t28-/m0/s1
InChIKeyDMUIYENJSIJDHI-NDEPHWFRSA-N
XLogP3.64
TPSA106.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.73
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol
CID 10184339
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]-2-methylpropyl]phenyl]-4-phenylpiperidine-1-sulfonamide
CID 10301056
2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol
CID 22326558
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]-2-methylpropyl]phenyl]piperazine-1-sulfonamide
CID 10181318
(1R)-2-[[1-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol;dihydrochloride
CID 45261521
(1R)-2-[2-[4-(cyclohexylsulfamoylamino)phenyl]ethylamino]-1-pyridin-3-ylethanol;dihydrochloride
CID 45261523
N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide
CID 136519757
N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39895873
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
CID 10279208
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea
CID 97237571

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol?
The IUPAC name of (1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol (CID 10209006) is (1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol.
What is the SMILES notation for (1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol?
The canonical SMILES for (1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol is CC(C)(Cc1ccc(NS(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1)NC[C@H](O)c1cccnc1.
What is the InChIKey of (1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol?
The InChIKey is DMUIYENJSIJDHI-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H39N5O3S/c1-29(2,31-21-28(35)25-9-6-16-30-20-25)19-23-10-12-26(13-11-23)32-38(36,37)33-27-14-17-34(18-15-27)22-24-7-4-3-5-8-24/h3-13,16,20,27-28,31-33,35H,14-15,17-19,21-22H2,1-2H3/t28-/m0/s1.
What are the key properties of (1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol?
(1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol has a molecular weight of 537.73 g/mol, XLogP of 3.64, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 10209006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).