phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate

C15H22N2O4S — CID 110346050

IUPACphenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate
SMILESO=C(NCCS(=O)(=O)N1CCCCCC1)Oc1ccccc1
InChIInChI=1S/C15H22N2O4S/c18-15(21-14-8-4-3-5-9-14)16-10-13-22(19,20)17-11-6-1-2-7-12-17/h3-5,8-9H,1-2,6-7,10-13H2,(H,16,18)
InChIKeyGLVCZLDSSWACAL-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.98
Rot. Bonds5

About phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate

phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate (PubChem CID 110346050) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate
PubChem CID110346050
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Namephenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate
SMILESO=C(NCCS(=O)(=O)N1CCCCCC1)Oc1ccccc1
InChIInChI=1S/C15H22N2O4S/c18-15(21-14-8-4-3-5-9-14)16-10-13-22(19,20)17-11-6-1-2-7-12-17/h3-5,8-9H,1-2,6-7,10-13H2,(H,16,18)
InChIKeyGLVCZLDSSWACAL-UHFFFAOYSA-N
XLogP1.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 60668667
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-methylbenzamide
CID 110346004
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
CID 110346023
phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397608
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345334
(E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide
CID 110306630
3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)benzamide
CID 110287574
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110346040
2-(phenoxycarbonylamino)ethyl methanesulfonate
CID 87999644
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342521
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
CID 110346034

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate?
The IUPAC name of phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate (CID 110346050) is phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate?
The canonical SMILES for phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate is O=C(NCCS(=O)(=O)N1CCCCCC1)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate?
The InChIKey is GLVCZLDSSWACAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c18-15(21-14-8-4-3-5-9-14)16-10-13-22(19,20)17-11-6-1-2-7-12-17/h3-5,8-9H,1-2,6-7,10-13H2,(H,16,18).
What are the key properties of phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate?
phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate has a molecular weight of 326.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate is sourced from PubChem (CID 110346050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).