(1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone

C16H21NOS — CID 3063642

IUPAC(1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C16H21NOS/c18-15(17-12-6-7-13-17)16(10-4-5-11-16)19-14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2
InChIKeyPMVXFUFCUBYCKZ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.71
Rot. Bonds3

About (1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone

(1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone (PubChem CID 3063642) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is (1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone
PubChem CID3063642
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name(1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C16H21NOS/c18-15(17-12-6-7-13-17)16(10-4-5-11-16)19-14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2
InChIKeyPMVXFUFCUBYCKZ-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone (CID 3063642) is (1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)C1(Sc2ccccc2)CCCC1.
What is the InChIKey of (1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone?
The InChIKey is PMVXFUFCUBYCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c18-15(17-12-6-7-13-17)16(10-4-5-11-16)19-14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2.
What are the key properties of (1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone?
(1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone has a molecular weight of 275.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3063642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).