1-phenylsulfanylcyclopentane-1-carboxamide

C12H15NOS — CID 3063640

IUPAC1-phenylsulfanylcyclopentane-1-carboxamide
SMILESNC(=O)C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C12H15NOS/c13-11(14)12(8-4-5-9-12)15-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,13,14)
InChIKeyBLIITTHNXRSDLD-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.58
Rot. Bonds3

About 1-phenylsulfanylcyclopentane-1-carboxamide

1-phenylsulfanylcyclopentane-1-carboxamide (PubChem CID 3063640) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-phenylsulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-phenylsulfanylcyclopentane-1-carboxamide
PubChem CID3063640
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name1-phenylsulfanylcyclopentane-1-carboxamide
SMILESNC(=O)C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C12H15NOS/c13-11(14)12(8-4-5-9-12)15-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,13,14)
InChIKeyBLIITTHNXRSDLD-UHFFFAOYSA-N
XLogP2.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanylcyclopentane-1-carboxamide?
The IUPAC name of 1-phenylsulfanylcyclopentane-1-carboxamide (CID 3063640) is 1-phenylsulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-phenylsulfanylcyclopentane-1-carboxamide?
The canonical SMILES for 1-phenylsulfanylcyclopentane-1-carboxamide is NC(=O)C1(Sc2ccccc2)CCCC1.
What is the InChIKey of 1-phenylsulfanylcyclopentane-1-carboxamide?
The InChIKey is BLIITTHNXRSDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c13-11(14)12(8-4-5-9-12)15-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,13,14).
What are the key properties of 1-phenylsulfanylcyclopentane-1-carboxamide?
1-phenylsulfanylcyclopentane-1-carboxamide has a molecular weight of 221.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 3063640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).