5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide

C14H23N3O2S2 — CID 106082374

IUPAC5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide
SMILESCSC(C)CCNS(=O)(=O)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C14H23N3O2S2/c1-11(20-2)7-8-17-21(18,19)14-6-3-12(10-16-14)9-15-13-4-5-13/h3,6,10-11,13,15,17H,4-5,7-9H2,1-2H3
InChIKeyOQWWWHBKQXFILC-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.75
Rot. Bonds9

About 5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide (PubChem CID 106082374) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide
PubChem CID106082374
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide
SMILESCSC(C)CCNS(=O)(=O)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C14H23N3O2S2/c1-11(20-2)7-8-17-21(18,19)14-6-3-12(10-16-14)9-15-13-4-5-13/h3,6,10-11,13,15,17H,4-5,7-9H2,1-2H3
InChIKeyOQWWWHBKQXFILC-UHFFFAOYSA-N
XLogP1.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylsulfanylbutyl)-5-(propylaminomethyl)pyridine-2-sulfonamide
CID 106082285
5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide
CID 106031617
5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide
CID 106081360
N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
CID 106026792
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591
5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
CID 106018652
N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
CID 106064775
5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide
CID 106066192
N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 116633398
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106027073
N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 175646911

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide (CID 106082374) is 5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide is CSC(C)CCNS(=O)(=O)c1ccc(CNC2CC2)cn1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide?
The InChIKey is OQWWWHBKQXFILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-11(20-2)7-8-17-21(18,19)14-6-3-12(10-16-14)9-15-13-4-5-13/h3,6,10-11,13,15,17H,4-5,7-9H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide has a molecular weight of 329.49 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106082374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).