N-cycloheptyl-2-phenylsulfanylacetamide

C15H21NOS — CID 2915329

IUPACN-cycloheptyl-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1CCCCCC1
InChIInChI=1S/C15H21NOS/c17-15(12-18-14-10-6-3-7-11-14)16-13-8-4-1-2-5-9-13/h3,6-7,10-11,13H,1-2,4-5,8-9,12H2,(H,16,17)
InChIKeyOERILUXYVNYSEL-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.62
Rot. Bonds4

About N-cycloheptyl-2-phenylsulfanylacetamide

N-cycloheptyl-2-phenylsulfanylacetamide (PubChem CID 2915329) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-cycloheptyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-phenylsulfanylacetamide
PubChem CID2915329
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-cycloheptyl-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1CCCCCC1
InChIInChI=1S/C15H21NOS/c17-15(12-18-14-10-6-3-7-11-14)16-13-8-4-1-2-5-9-13/h3,6-7,10-11,13H,1-2,4-5,8-9,12H2,(H,16,17)
InChIKeyOERILUXYVNYSEL-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-phenylsulfanylacetamide?
The IUPAC name of N-cycloheptyl-2-phenylsulfanylacetamide (CID 2915329) is N-cycloheptyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-cycloheptyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-cycloheptyl-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-phenylsulfanylacetamide?
The InChIKey is OERILUXYVNYSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c17-15(12-18-14-10-6-3-7-11-14)16-13-8-4-1-2-5-9-13/h3,6-7,10-11,13H,1-2,4-5,8-9,12H2,(H,16,17).
What are the key properties of N-cycloheptyl-2-phenylsulfanylacetamide?
N-cycloheptyl-2-phenylsulfanylacetamide has a molecular weight of 263.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2915329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).