2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide

C16H30N4O3S — CID 18142895

IUPAC2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H30N4O3S/c1-14(16(21)17-15-6-7-15)18-10-12-20(13-11-18)24(22,23)19-8-4-2-3-5-9-19/h14-15H,2-13H2,1H3,(H,17,21)
InChIKeyMZUCELSHSXYJRT-UHFFFAOYSA-N
MW358.51 g/mol
LogP0.39
Rot. Bonds5

About 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 18142895) has the molecular formula C16H30N4O3S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID18142895
Molecular FormulaC16H30N4O3S
Molecular Weight358.51 g/mol
Exact Mass358.20
IUPAC Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H30N4O3S/c1-14(16(21)17-15-6-7-15)18-10-12-20(13-11-18)24(22,23)19-8-4-2-3-5-9-19/h14-15H,2-13H2,1H3,(H,17,21)
InChIKeyMZUCELSHSXYJRT-UHFFFAOYSA-N
XLogP0.39
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide (CID 18142895) is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is MZUCELSHSXYJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3S/c1-14(16(21)17-15-6-7-15)18-10-12-20(13-11-18)24(22,23)19-8-4-2-3-5-9-19/h14-15H,2-13H2,1H3,(H,17,21).
What are the key properties of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 358.51 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 18142895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).