1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide

C15H27N3O2S — CID 106055303

IUPAC1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CNC)n(C2CC2)c1
InChIInChI=1S/C15H27N3O2S/c1-4-6-12(5-2)17-21(19,20)15-9-14(10-16-3)18(11-15)13-7-8-13/h9,11-13,16-17H,4-8,10H2,1-3H3
InChIKeyDXIJJAKBFPLKSJ-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.40
Rot. Bonds9

About 1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide

1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide (PubChem CID 106055303) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide
PubChem CID106055303
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CNC)n(C2CC2)c1
InChIInChI=1S/C15H27N3O2S/c1-4-6-12(5-2)17-21(19,20)15-9-14(10-16-3)18(11-15)13-7-8-13/h9,11-13,16-17H,4-8,10H2,1-3H3
InChIKeyDXIJJAKBFPLKSJ-UHFFFAOYSA-N
XLogP2.40
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide (CID 106055303) is 1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide is CCCC(CC)NS(=O)(=O)c1cc(CNC)n(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The InChIKey is DXIJJAKBFPLKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-4-6-12(5-2)17-21(19,20)15-9-14(10-16-3)18(11-15)13-7-8-13/h9,11-13,16-17H,4-8,10H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106055303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).