N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide

C15H27N3O2S — CID 106027622

IUPACN-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC2CCCC(C)C2)c[nH]1
InChIInChI=1S/C15H27N3O2S/c1-3-7-16-10-14-9-15(11-17-14)21(19,20)18-13-6-4-5-12(2)8-13/h9,11-13,16-18H,3-8,10H2,1-2H3
InChIKeyREVILZBYKAPQGW-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.37
Rot. Bonds7

About N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide

N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106027622) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106027622
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC2CCCC(C)C2)c[nH]1
InChIInChI=1S/C15H27N3O2S/c1-3-7-16-10-14-9-15(11-17-14)21(19,20)18-13-6-4-5-12(2)8-13/h9,11-13,16-18H,3-8,10H2,1-2H3
InChIKeyREVILZBYKAPQGW-UHFFFAOYSA-N
XLogP2.37
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027355
1-methyl-N-(3-methylcyclopentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 114551865
5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide
CID 106082564
N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106084907
N-(5-methyl-1,3-thiazol-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106061086
N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106073264
5-[(cyclopropylamino)methyl]-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106089998
N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106089929
N-(2,2-dimethylcyclopentyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106071089
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106073994
N-(3-methylcyclopentyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 114549400
N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106055691

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106027622) is N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide is CCCNCc1cc(S(=O)(=O)NC2CCCC(C)C2)c[nH]1.
What is the InChIKey of N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is REVILZBYKAPQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-3-7-16-10-14-9-15(11-17-14)21(19,20)18-13-6-4-5-12(2)8-13/h9,11-13,16-18H,3-8,10H2,1-2H3.
What are the key properties of N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106027622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).