5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide

C15H27N3O2S — CID 106068913

IUPAC5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCC(C)(C)CC2)cc1CN
InChIInChI=1S/C15H27N3O2S/c1-4-18-11-14(9-13(18)10-16)21(19,20)17-12-5-7-15(2,3)8-6-12/h9,11-12,17H,4-8,10,16H2,1-3H3
InChIKeyRCGHWFWVCJLJDS-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.21
Rot. Bonds5

About 5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide (PubChem CID 106068913) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide
PubChem CID106068913
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCC(C)(C)CC2)cc1CN
InChIInChI=1S/C15H27N3O2S/c1-4-18-11-14(9-13(18)10-16)21(19,20)17-12-5-7-15(2,3)8-6-12/h9,11-12,17H,4-8,10,16H2,1-3H3
InChIKeyRCGHWFWVCJLJDS-UHFFFAOYSA-N
XLogP2.21
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-1-ethyl-N-(4-methylsulfanylcyclohexyl)pyrrole-3-sulfonamide
CID 106090752
5-(aminomethyl)-1-ethyl-N-(3-ethylsulfanylcyclopentyl)pyrrole-3-sulfonamide
CID 106091498
5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide
CID 106083043
5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide
CID 106094516
5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide
CID 106074138
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
CID 114140372
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrrole-3-sulfonamide
CID 106079056
5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
CID 106072562
5-(aminomethyl)-1-ethyl-N-(4,4,4-trifluorobutyl)pyrrole-3-sulfonamide
CID 115522822
5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide
CID 106070972

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide (CID 106068913) is 5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NC2CCC(C)(C)CC2)cc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide?
The InChIKey is RCGHWFWVCJLJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-4-18-11-14(9-13(18)10-16)21(19,20)17-12-5-7-15(2,3)8-6-12/h9,11-12,17H,4-8,10,16H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide is sourced from PubChem (CID 106068913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).