5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide

C15H29N3O2S — CID 106018970

IUPAC5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(CNC)n(C(C)C)c1)C(C)C
InChIInChI=1S/C15H29N3O2S/c1-7-15(11(2)3)17-21(19,20)14-8-13(9-16-6)18(10-14)12(4)5/h8,10-12,15-17H,7,9H2,1-6H3
InChIKeyHDHSCKKDBRCNNI-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.50
Rot. Bonds8

About 5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide

5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide (PubChem CID 106018970) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
PubChem CID106018970
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(CNC)n(C(C)C)c1)C(C)C
InChIInChI=1S/C15H29N3O2S/c1-7-15(11(2)3)17-21(19,20)14-8-13(9-16-6)18(10-14)12(4)5/h8,10-12,15-17H,7,9H2,1-6H3
InChIKeyHDHSCKKDBRCNNI-UHFFFAOYSA-N
XLogP2.50
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)pyrrole-3-sulfonamide
CID 106018909
N-(1-ethoxy-3-methylbutan-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106093833
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106064892
N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106091263
N-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 81064021
5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106057236
N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106074488
5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide
CID 106055445
5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106083952
2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018965
N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide
CID 106067568
4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 47392283

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide (CID 106018970) is 5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide is CCC(NS(=O)(=O)c1cc(CNC)n(C(C)C)c1)C(C)C.
What is the InChIKey of 5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
The InChIKey is HDHSCKKDBRCNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-7-15(11(2)3)17-21(19,20)14-8-13(9-16-6)18(10-14)12(4)5/h8,10-12,15-17H,7,9H2,1-6H3.
What are the key properties of 5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide has a molecular weight of 315.48 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 106018970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).