(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine

C18H31N3O3S — CID 118760807

IUPAC(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine
SMILESCC(C)Cc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)cc1
InChIInChI=1S/C18H31N3O3S/c1-14(2)11-15-5-7-16(8-6-15)12-21-10-9-17(18(22)13-21)19-25(23,24)20(3)4/h5-8,14,17-19,22H,9-13H2,1-4H3/t17-,18-/m1/s1
InChIKeyJDULIJHDTWLFIK-QZTJIDSGSA-N
MW369.53 g/mol
LogP1.22
Rot. Bonds7

About (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine

(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine (PubChem CID 118760807) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine
PubChem CID118760807
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC Name(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine
SMILESCC(C)Cc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)cc1
InChIInChI=1S/C18H31N3O3S/c1-14(2)11-15-5-7-16(8-6-15)12-21-10-9-17(18(22)13-21)19-25(23,24)20(3)4/h5-8,14,17-19,22H,9-13H2,1-4H3/t17-,18-/m1/s1
InChIKeyJDULIJHDTWLFIK-QZTJIDSGSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118785578
(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118762309
(3R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118785716
4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 118765711
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine
CID 170638454
1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 119907556
2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine
CID 118768707
1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide
CID 45243943
5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine
CID 95107248
1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid
CID 87886924
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide
CID 56918189

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine?
The IUPAC name of (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine (CID 118760807) is (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine.
What is the SMILES notation for (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine?
The canonical SMILES for (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine is CC(C)Cc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)cc1.
What is the InChIKey of (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine?
The InChIKey is JDULIJHDTWLFIK-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-14(2)11-15-5-7-16(8-6-15)12-21-10-9-17(18(22)13-21)19-25(23,24)20(3)4/h5-8,14,17-19,22H,9-13H2,1-4H3/t17-,18-/m1/s1.
What are the key properties of (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine?
(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine has a molecular weight of 369.53 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine is sourced from PubChem (CID 118760807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).