1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide

C15H29N3O3S — CID 5093498

IUPAC1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(S(=O)(=O)N2CCCCCC2)C1
InChIInChI=1S/C15H29N3O3S/c1-13(2)16-15(19)14-8-7-11-18(12-14)22(20,21)17-9-5-3-4-6-10-17/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyKXTWTPVYVLDLKV-UHFFFAOYSA-N
MW331.48 g/mol
LogP1.34
Rot. Bonds4

About 1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide

1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 5093498) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is 1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID5093498
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC Name1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(S(=O)(=O)N2CCCCCC2)C1
InChIInChI=1S/C15H29N3O3S/c1-13(2)16-15(19)14-8-7-11-18(12-14)22(20,21)17-9-5-3-4-6-10-17/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyKXTWTPVYVLDLKV-UHFFFAOYSA-N
XLogP1.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide (CID 5093498) is 1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)C1CCCN(S(=O)(=O)N2CCCCCC2)C1.
What is the InChIKey of 1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is KXTWTPVYVLDLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-13(2)16-15(19)14-8-7-11-18(12-14)22(20,21)17-9-5-3-4-6-10-17/h13-14H,3-12H2,1-2H3,(H,16,19).
What are the key properties of 1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide?
1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 331.48 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 5093498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).