N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide

C14H25N3O2S2 — CID 103307693

IUPACN-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NC(C)CCSCC
InChIInChI=1S/C14H25N3O2S2/c1-4-9-15-13-7-6-10-16-14(13)21(18,19)17-12(3)8-11-20-5-2/h6-7,10,12,15,17H,4-5,8-9,11H2,1-3H3
InChIKeySUGWJRRRXNRURE-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.71
Rot. Bonds10

About N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide

N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide (PubChem CID 103307693) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
PubChem CID103307693
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NC(C)CCSCC
InChIInChI=1S/C14H25N3O2S2/c1-4-9-15-13-7-6-10-16-14(13)21(18,19)17-12(3)8-11-20-5-2/h6-7,10,12,15,17H,4-5,8-9,11H2,1-3H3
InChIKeySUGWJRRRXNRURE-UHFFFAOYSA-N
XLogP2.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534
3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide
CID 103307516
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307489
N-(1-methoxypentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306201
N-(1-cyclobutylethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307553
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide
CID 103305626
N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306685
N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306299
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
CID 103303743

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide (CID 103307693) is N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)NC(C)CCSCC.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
The InChIKey is SUGWJRRRXNRURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-4-9-15-13-7-6-10-16-14(13)21(18,19)17-12(3)8-11-20-5-2/h6-7,10,12,15,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103307693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).