cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone

C16H21NOS — CID 110672442

IUPACcyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(CSc2ccccc2)C1
InChIInChI=1S/C16H21NOS/c18-16(14-8-9-14)17-10-4-5-13(11-17)12-19-15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2
InChIKeyNRWZXHTVTGAVKM-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.43
Rot. Bonds4

About cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone

cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone (PubChem CID 110672442) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone
PubChem CID110672442
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Namecyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(CSc2ccccc2)C1
InChIInChI=1S/C16H21NOS/c18-16(14-8-9-14)17-10-4-5-13(11-17)12-19-15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2
InChIKeyNRWZXHTVTGAVKM-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(phenylsulfanylmethyl)piperidin-1-yl]ethanone
CID 110672438
cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone
CID 110672481
[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone
CID 71993968
(3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 96566331
[3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone
CID 110661911
5-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685819
[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 96568451
(2R)-2-methylsulfanyl-1-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 96568475
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
[4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone
CID 46967384
5-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119139486
2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120593719

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone (CID 110672442) is cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone is O=C(C1CC1)N1CCCC(CSc2ccccc2)C1.
What is the InChIKey of cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone?
The InChIKey is NRWZXHTVTGAVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c18-16(14-8-9-14)17-10-4-5-13(11-17)12-19-15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2.
What are the key properties of cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone?
cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone has a molecular weight of 275.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110672442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).