N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide

C12H18N2O3S — CID 125440803

IUPACN-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@]1(O)CCCNC1)c1ccccc1
InChIInChI=1S/C12H18N2O3S/c15-12(7-4-8-13-9-12)10-14-18(16,17)11-5-2-1-3-6-11/h1-3,5-6,13-15H,4,7-10H2/t12-/m0/s1
InChIKeyNCYKTLAXPBYACL-LBPRGKRZSA-N
MW270.35 g/mol
LogP0.08
Rot. Bonds4

About N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide

N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide (PubChem CID 125440803) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
PubChem CID125440803
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@]1(O)CCCNC1)c1ccccc1
InChIInChI=1S/C12H18N2O3S/c15-12(7-4-8-13-9-12)10-14-18(16,17)11-5-2-1-3-6-11/h1-3,5-6,13-15H,4,7-10H2/t12-/m0/s1
InChIKeyNCYKTLAXPBYACL-LBPRGKRZSA-N
XLogP0.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125443896
N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122572400
3,4-difluoro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440671
N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide
CID 114760106
N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide
CID 124756680
N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 122564480
4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65113107
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea
CID 118771640
N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848060
3-(azepane-1-carbonyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]benzenesulfonamide
CID 97201837
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide (CID 125440803) is N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide is O=S(=O)(NC[C@]1(O)CCCNC1)c1ccccc1.
What is the InChIKey of N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is NCYKTLAXPBYACL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-12(7-4-8-13-9-12)10-14-18(16,17)11-5-2-1-3-6-11/h1-3,5-6,13-15H,4,7-10H2/t12-/m0/s1.
What are the key properties of N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide?
N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 125440803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).