N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide

C15H20N2O3S — CID 63655761

IUPACN-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C15H20N2O3S/c1-17(12-13-5-2-3-6-13)21(19,20)15-9-14(7-4-8-18)10-16-11-15/h9-11,13,18H,2-3,5-6,8,12H2,1H3
InChIKeyGUBQEQUFJJZLJD-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.24
Rot. Bonds4

About N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide

N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide (PubChem CID 63655761) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide
PubChem CID63655761
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C15H20N2O3S/c1-17(12-13-5-2-3-6-13)21(19,20)15-9-14(7-4-8-18)10-16-11-15/h9-11,13,18H,2-3,5-6,8,12H2,1H3
InChIKeyGUBQEQUFJJZLJD-UHFFFAOYSA-N
XLogP1.24
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide
CID 63656372
N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide
CID 64522418
N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide
CID 63700384
N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 79481405
3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol
CID 62331288
N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
CID 61443170
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82729501
3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol
CID 103537133
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide
CID 63655551
5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 62094462
N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide
CID 54974844
N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide
CID 62855891

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide (CID 63655761) is N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide is CN(CC1CCCC1)S(=O)(=O)c1cncc(C#CCO)c1.
What is the InChIKey of N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is GUBQEQUFJJZLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-17(12-13-5-2-3-6-13)21(19,20)15-9-14(7-4-8-18)10-16-11-15/h9-11,13,18H,2-3,5-6,8,12H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide?
N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 63655761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).