N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide

C15H18N2O3S — CID 64522418

IUPACN-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cncc(C#CCO)c1)N(CC1CC1)C1CC1
InChIInChI=1S/C15H18N2O3S/c18-7-1-2-13-8-15(10-16-9-13)21(19,20)17(14-5-6-14)11-12-3-4-12/h8-10,12,14,18H,3-7,11H2
InChIKeyQVESZRMNRHUQSH-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.99
Rot. Bonds5

About N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide

N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide (PubChem CID 64522418) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide
PubChem CID64522418
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cncc(C#CCO)c1)N(CC1CC1)C1CC1
InChIInChI=1S/C15H18N2O3S/c18-7-1-2-13-8-15(10-16-9-13)21(19,20)17(14-5-6-14)11-12-3-4-12/h8-10,12,14,18H,3-7,11H2
InChIKeyQVESZRMNRHUQSH-UHFFFAOYSA-N
XLogP0.99
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.99
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

N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide
CID 63655761
5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide
CID 79701921
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide
CID 63656372
5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide
CID 64606326
N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 79481405
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
3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol
CID 62331288
3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol
CID 103537133
1-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol
CID 103357674
N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 54926862
2-amino-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-sulfonamide
CID 64522432

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide (CID 64522418) is N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide is O=S(=O)(c1cncc(C#CCO)c1)N(CC1CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide?
The InChIKey is QVESZRMNRHUQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-7-1-2-13-8-15(10-16-9-13)21(19,20)17(14-5-6-14)11-12-3-4-12/h8-10,12,14,18H,3-7,11H2.
What are the key properties of N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide?
N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64522418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).