6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide

C14H24N4O2S — CID 103341465

IUPAC6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2(CN)CCCCC2)nc1
InChIInChI=1S/C14H24N4O2S/c1-18(2)21(19,20)12-6-7-13(16-10-12)17-14(11-15)8-4-3-5-9-14/h6-7,10H,3-5,8-9,11,15H2,1-2H3,(H,16,17)
InChIKeyURHPFIWVNZSHMW-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.41
Rot. Bonds5

About 6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide

6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103341465) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103341465
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2(CN)CCCCC2)nc1
InChIInChI=1S/C14H24N4O2S/c1-18(2)21(19,20)12-6-7-13(16-10-12)17-14(11-15)8-4-3-5-9-14/h6-7,10H,3-5,8-9,11,15H2,1-2H3,(H,16,17)
InChIKeyURHPFIWVNZSHMW-UHFFFAOYSA-N
XLogP1.41
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide (CID 103341465) is 6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(NC2(CN)CCCCC2)nc1.
What is the InChIKey of 6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is URHPFIWVNZSHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-18(2)21(19,20)12-6-7-13(16-10-12)17-14(11-15)8-4-3-5-9-14/h6-7,10H,3-5,8-9,11,15H2,1-2H3,(H,16,17).
What are the key properties of 6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide?
6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103341465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).