5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide

C14H26N4O2S — CID 106054923

IUPAC5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide
SMILESCC(CCN(C)C)NS(=O)(=O)c1cc(CN)n(C2CC2)c1
InChIInChI=1S/C14H26N4O2S/c1-11(6-7-17(2)3)16-21(19,20)14-8-13(9-15)18(10-14)12-4-5-12/h8,10-12,16H,4-7,9,15H2,1-3H3
InChIKeyDOZLGUQSYBXKON-UHFFFAOYSA-N
MW314.46 g/mol
LogP0.90
Rot. Bonds8

About 5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide

5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide (PubChem CID 106054923) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide
PubChem CID106054923
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide
SMILESCC(CCN(C)C)NS(=O)(=O)c1cc(CN)n(C2CC2)c1
InChIInChI=1S/C14H26N4O2S/c1-11(6-7-17(2)3)16-21(19,20)14-8-13(9-15)18(10-14)12-4-5-12/h8,10-12,16H,4-7,9,15H2,1-3H3
InChIKeyDOZLGUQSYBXKON-UHFFFAOYSA-N
XLogP0.90
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051402
1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106067452
5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide
CID 114551930
5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
CID 106076278
5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106024800
1-cyclopropyl-N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106054197
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
CID 114140372
3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-4-fluorobenzenesulfonamide
CID 63289077
5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106060831
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106067591
4-(bromomethyl)-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 65480832
5-(aminomethyl)-N-(1-cyclopropylethyl)-1-methylpyrrole-3-sulfonamide
CID 114134359

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide (CID 106054923) is 5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide is CC(CCN(C)C)NS(=O)(=O)c1cc(CN)n(C2CC2)c1.
What is the InChIKey of 5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide?
The InChIKey is DOZLGUQSYBXKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-11(6-7-17(2)3)16-21(19,20)14-8-13(9-15)18(10-14)12-4-5-12/h8,10-12,16H,4-7,9,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide?
5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide is sourced from PubChem (CID 106054923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).