N-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide

C12H21N3O3S — CID 71442347

IUPACN-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide
SMILESCCCC[C@H](N)C(O)CNS(=O)(=O)c1ccccn1
InChIInChI=1S/C12H21N3O3S/c1-2-3-6-10(13)11(16)9-15-19(17,18)12-7-4-5-8-14-12/h4-5,7-8,10-11,15-16H,2-3,6,9,13H2,1H3/t10-,11?/m0/s1
InChIKeyXSJNICDZEXMNOO-VUWPPUDQSA-N
MW287.38 g/mol
LogP0.24
Rot. Bonds8

About N-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide

N-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide (PubChem CID 71442347) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide
PubChem CID71442347
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide
SMILESCCCC[C@H](N)C(O)CNS(=O)(=O)c1ccccn1
InChIInChI=1S/C12H21N3O3S/c1-2-3-6-10(13)11(16)9-15-19(17,18)12-7-4-5-8-14-12/h4-5,7-8,10-11,15-16H,2-3,6,9,13H2,1H3/t10-,11?/m0/s1
InChIKeyXSJNICDZEXMNOO-VUWPPUDQSA-N
XLogP0.24
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-hydroxypropyl)pyridine-2-sulfonamide
CID 71422369
N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide
CID 86048885
N-propylpyridine-2-sulfonamide
CID 91182516
N-[(1R)-1-phenylpentyl]pyridine-2-sulfonamide
CID 101377427
N-(2,2-diphenylethyl)pyridine-2-sulfonamide
CID 135085971
tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate
CID 58981690
tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate
CID 58981687
[(2S)-1-(4-imidazol-1-ylphenoxy)-3,3-dimethylbutan-2-yl] N-[(3S)-2-hydroxy-1-(pyridin-2-ylsulfonylamino)heptan-3-yl]carbamate
CID 91183215
[3,3-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]butan-2-yl]-[(2S,3S)-2-hydroxy-1-(pyridin-2-ylsulfonylamino)heptan-3-yl]carbamic acid
CID 90950360
2-[(2R)-2-methylheptyl]sulfonylpyridine
CID 102521509
4-(pyridin-2-ylsulfonylamino)butanoic acid
CID 122067598
pyridin-2-ylsulfonylthiourea
CID 19808514

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide?
The IUPAC name of N-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide (CID 71442347) is N-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide?
The canonical SMILES for N-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide is CCCC[C@H](N)C(O)CNS(=O)(=O)c1ccccn1.
What is the InChIKey of N-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide?
The InChIKey is XSJNICDZEXMNOO-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-2-3-6-10(13)11(16)9-15-19(17,18)12-7-4-5-8-14-12/h4-5,7-8,10-11,15-16H,2-3,6,9,13H2,1H3/t10-,11?/m0/s1.
What are the key properties of N-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide?
N-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide is sourced from PubChem (CID 71442347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).