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

C17H32N4O3S — CID 35398860

IUPAC4-(azepan-1-ylsulfonyl)-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C17H32N4O3S/c22-17(18-16-8-4-3-5-9-16)19-12-14-21(15-13-19)25(23,24)20-10-6-1-2-7-11-20/h16H,1-15H2,(H,18,22)
InChIKeyNNMCUWBZKNICHG-UHFFFAOYSA-N
MW372.54 g/mol
LogP1.77
Rot. Bonds3

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

4-(azepan-1-ylsulfonyl)-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 35398860) has the molecular formula C17H32N4O3S and a molecular weight of 372.54 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-cyclohexylpiperazine-1-carboxamide
PubChem CID35398860
Molecular FormulaC17H32N4O3S
Molecular Weight372.54 g/mol
Exact Mass372.22
IUPAC Name4-(azepan-1-ylsulfonyl)-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C17H32N4O3S/c22-17(18-16-8-4-3-5-9-16)19-12-14-21(15-13-19)25(23,24)20-10-6-1-2-7-11-20/h16H,1-15H2,(H,18,22)
InChIKeyNNMCUWBZKNICHG-UHFFFAOYSA-N
XLogP1.77
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 51.77
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-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-cyclohexylpiperazine-1-carboxamide (CID 35398860) is 4-(azepan-1-ylsulfonyl)-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-cyclohexylpiperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is NNMCUWBZKNICHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3S/c22-17(18-16-8-4-3-5-9-16)19-12-14-21(15-13-19)25(23,24)20-10-6-1-2-7-11-20/h16H,1-15H2,(H,18,22).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-cyclohexylpiperazine-1-carboxamide?
4-(azepan-1-ylsulfonyl)-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 1.77, 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-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 35398860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).