[5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol

C14H24N2O4S — CID 124743357

IUPAC[5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol
SMILESCC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ccc(CO)o1
InChIInChI=1S/C14H24N2O4S/c1-3-11-9-16(21(2,18)19)7-6-14(11)15-8-12-4-5-13(10-17)20-12/h4-5,11,14-15,17H,3,6-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyYSORVVREZOPIDB-BXUZGUMPSA-N
MW316.42 g/mol
LogP0.92
Rot. Bonds6

About [5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol

[5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol (PubChem CID 124743357) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is [5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol
PubChem CID124743357
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name[5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol
SMILESCC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ccc(CO)o1
InChIInChI=1S/C14H24N2O4S/c1-3-11-9-16(21(2,18)19)7-6-14(11)15-8-12-4-5-13(10-17)20-12/h4-5,11,14-15,17H,3,6-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyYSORVVREZOPIDB-BXUZGUMPSA-N
XLogP0.92
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 97097433
1-[(3S,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 97026946
4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide
CID 97026922
[5-[[(2-ethylcyclopentyl)amino]methyl]furan-2-yl]methanol
CID 115691360
[5-[[[(3S,4R)-3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol
CID 98768227
(3R,4S)-3-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 97026929
1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone
CID 97097423
1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097440
cyclopropyl-[(3S,4R)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]methanone
CID 97026938
cyclopropyl-[(3R,4R)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]methanone
CID 97026937
(3R,4R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethyl-1-methylsulfonylpiperidin-4-amine
CID 124740462
3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 71927317

Frequently Asked Questions

What is the IUPAC name of [5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol (CID 124743357) is [5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol is CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ccc(CO)o1.
What is the InChIKey of [5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol?
The InChIKey is YSORVVREZOPIDB-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-3-11-9-16(21(2,18)19)7-6-14(11)15-8-12-4-5-13(10-17)20-12/h4-5,11,14-15,17H,3,6-10H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of [5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol?
[5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol has a molecular weight of 316.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 124743357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).