1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide

C16H32N4O3S — CID 20911298

IUPAC1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCN(C)CCNC(=O)C1CCCN(S(=O)(=O)N2CCCCCC2)C1
InChIInChI=1S/C16H32N4O3S/c1-18(2)13-9-17-16(21)15-8-7-12-20(14-15)24(22,23)19-10-5-3-4-6-11-19/h15H,3-14H2,1-2H3,(H,17,21)
InChIKeyUXDZPTXQTACQAD-UHFFFAOYSA-N
MW360.52 g/mol
LogP0.50
Rot. Bonds6

About 1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide

1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide (PubChem CID 20911298) has the molecular formula C16H32N4O3S and a molecular weight of 360.52 g/mol. Its IUPAC name is 1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
PubChem CID20911298
Molecular FormulaC16H32N4O3S
Molecular Weight360.52 g/mol
Exact Mass360.22
IUPAC Name1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCN(C)CCNC(=O)C1CCCN(S(=O)(=O)N2CCCCCC2)C1
InChIInChI=1S/C16H32N4O3S/c1-18(2)13-9-17-16(21)15-8-7-12-20(14-15)24(22,23)19-10-5-3-4-6-11-19/h15H,3-14H2,1-2H3,(H,17,21)
InChIKeyUXDZPTXQTACQAD-UHFFFAOYSA-N
XLogP0.50
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide (CID 20911298) is 1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide is CN(C)CCNC(=O)C1CCCN(S(=O)(=O)N2CCCCCC2)C1.
What is the InChIKey of 1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is UXDZPTXQTACQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O3S/c1-18(2)13-9-17-16(21)15-8-7-12-20(14-15)24(22,23)19-10-5-3-4-6-11-19/h15H,3-14H2,1-2H3,(H,17,21).
What are the key properties of 1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 360.52 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 20911298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).