4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide

C16H30N4O3S — CID 30262277

IUPAC4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H30N4O3S/c21-16(17-15-7-3-4-8-15)18-11-13-20(14-12-18)24(22,23)19-9-5-1-2-6-10-19/h15H,1-14H2,(H,17,21)
InChIKeyRALPDYRECNBAAC-UHFFFAOYSA-N
MW358.51 g/mol
LogP1.38
Rot. Bonds3

About 4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide

4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide (PubChem CID 30262277) has the molecular formula C16H30N4O3S and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide
PubChem CID30262277
Molecular FormulaC16H30N4O3S
Molecular Weight358.51 g/mol
Exact Mass358.20
IUPAC Name4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H30N4O3S/c21-16(17-15-7-3-4-8-15)18-11-13-20(14-12-18)24(22,23)19-9-5-1-2-6-10-19/h15H,1-14H2,(H,17,21)
InChIKeyRALPDYRECNBAAC-UHFFFAOYSA-N
XLogP1.38
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide (CID 30262277) is 4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide is O=C(NC1CCCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide?
The InChIKey is RALPDYRECNBAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3S/c21-16(17-15-7-3-4-8-15)18-11-13-20(14-12-18)24(22,23)19-9-5-1-2-6-10-19/h15H,1-14H2,(H,17,21).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide?
4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 30262277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).