2-(azepan-1-ylsulfonylamino)-N-propylacetamide

C11H23N3O3S — CID 18148474

IUPAC2-(azepan-1-ylsulfonylamino)-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H23N3O3S/c1-2-7-12-11(15)10-13-18(16,17)14-8-5-3-4-6-9-14/h13H,2-10H2,1H3,(H,12,15)
InChIKeyDWDNYWCOZRSMEG-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.22
Rot. Bonds6

About 2-(azepan-1-ylsulfonylamino)-N-propylacetamide

2-(azepan-1-ylsulfonylamino)-N-propylacetamide (PubChem CID 18148474) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(azepan-1-ylsulfonylamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(azepan-1-ylsulfonylamino)-N-propylacetamide
PubChem CID18148474
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-(azepan-1-ylsulfonylamino)-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H23N3O3S/c1-2-7-12-11(15)10-13-18(16,17)14-8-5-3-4-6-9-14/h13H,2-10H2,1H3,(H,12,15)
InChIKeyDWDNYWCOZRSMEG-UHFFFAOYSA-N
XLogP0.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylsulfonylamino)-N-propylacetamide?
The IUPAC name of 2-(azepan-1-ylsulfonylamino)-N-propylacetamide (CID 18148474) is 2-(azepan-1-ylsulfonylamino)-N-propylacetamide.
What is the SMILES notation for 2-(azepan-1-ylsulfonylamino)-N-propylacetamide?
The canonical SMILES for 2-(azepan-1-ylsulfonylamino)-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-ylsulfonylamino)-N-propylacetamide?
The InChIKey is DWDNYWCOZRSMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-2-7-12-11(15)10-13-18(16,17)14-8-5-3-4-6-9-14/h13H,2-10H2,1H3,(H,12,15).
What are the key properties of 2-(azepan-1-ylsulfonylamino)-N-propylacetamide?
2-(azepan-1-ylsulfonylamino)-N-propylacetamide has a molecular weight of 277.39 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylsulfonylamino)-N-propylacetamide is sourced from PubChem (CID 18148474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).