[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone

C16H24N2OS — CID 119491726

IUPAC[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
SMILESCNC1CCCN(C(=O)c2ccccc2SC(C)C)C1
InChIInChI=1S/C16H24N2OS/c1-12(2)20-15-9-5-4-8-14(15)16(19)18-10-6-7-13(11-18)17-3/h4-5,8-9,12-13,17H,6-7,10-11H2,1-3H3
InChIKeyCIOCSALVVWMPIK-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.01
Rot. Bonds4

About [3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone

[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone (PubChem CID 119491726) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
PubChem CID119491726
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
SMILESCNC1CCCN(C(=O)c2ccccc2SC(C)C)C1
InChIInChI=1S/C16H24N2OS/c1-12(2)20-15-9-5-4-8-14(15)16(19)18-10-6-7-13(11-18)17-3/h4-5,8-9,12-13,17H,6-7,10-11H2,1-3H3
InChIKeyCIOCSALVVWMPIK-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)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

[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119491725
[3-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119595456
[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 119412080
[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 124626295
[3-(methylamino)piperidin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone;dihydrochloride
CID 119492611
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
N-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
CID 94800761
[3-(methylamino)piperidin-1-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanone;hydrochloride
CID 119490513
(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 81265224
2-[2-(4-propan-2-ylazepane-1-carbonyl)phenyl]sulfanylpropanoic acid
CID 119185429
2-[2-(3-methoxypiperidine-1-carbonyl)phenyl]sulfanylpropanoic acid
CID 119181332

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone (CID 119491726) is [3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone is CNC1CCCN(C(=O)c2ccccc2SC(C)C)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone?
The InChIKey is CIOCSALVVWMPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(2)20-15-9-5-4-8-14(15)16(19)18-10-6-7-13(11-18)17-3/h4-5,8-9,12-13,17H,6-7,10-11H2,1-3H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone?
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone has a molecular weight of 292.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone is sourced from PubChem (CID 119491726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).