5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide

C14H27N3O2S — CID 102915873

IUPAC5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1cc(CN)n(C)c1)C(C)C
InChIInChI=1S/C14H27N3O2S/c1-10(2)14(11(3)4)8-16-20(18,19)13-6-12(7-15)17(5)9-13/h6,9-11,14,16H,7-8,15H2,1-5H3
InChIKeyOIOCOWRPZYCLTB-UHFFFAOYSA-N
MW301.46 g/mol
LogP1.69
Rot. Bonds7

About 5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide (PubChem CID 102915873) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide
PubChem CID102915873
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1cc(CN)n(C)c1)C(C)C
InChIInChI=1S/C14H27N3O2S/c1-10(2)14(11(3)4)8-16-20(18,19)13-6-12(7-15)17(5)9-13/h6,9-11,14,16H,7-8,15H2,1-5H3
InChIKeyOIOCOWRPZYCLTB-UHFFFAOYSA-N
XLogP1.69
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(1-cyclopropylethyl)-1-methylpyrrole-3-sulfonamide
CID 114134359
5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106088937
5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide
CID 83147385
5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide
CID 102915798
5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide
CID 106008386
5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide
CID 106002438
5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009439
5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106051880
5-(aminomethyl)-1-methyl-N-(3-pyrazol-1-ylpropyl)pyrrole-3-sulfonamide
CID 106077067
5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide
CID 106030588
5-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-1-methylpyrrole-3-sulfonamide
CID 106001590
5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
CID 106081058

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide (CID 102915873) is 5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide is CC(C)C(CNS(=O)(=O)c1cc(CN)n(C)c1)C(C)C.
What is the InChIKey of 5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide?
The InChIKey is OIOCOWRPZYCLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-10(2)14(11(3)4)8-16-20(18,19)13-6-12(7-15)17(5)9-13/h6,9-11,14,16H,7-8,15H2,1-5H3.
What are the key properties of 5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide has a molecular weight of 301.46 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 102915873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).