1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one

C15H21NOS — CID 62051389

IUPAC1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)C2CCSC2)cc1
InChIInChI=1S/C15H21NOS/c1-11-4-6-13(7-5-11)15(17)12(2)16(3)14-8-9-18-10-14/h4-7,12,14H,8-10H2,1-3H3
InChIKeyLROKMQJCURQXFM-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.00
Rot. Bonds4

About 1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one

1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one (PubChem CID 62051389) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
PubChem CID62051389
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)C2CCSC2)cc1
InChIInChI=1S/C15H21NOS/c1-11-4-6-13(7-5-11)15(17)12(2)16(3)14-8-9-18-10-14/h4-7,12,14H,8-10H2,1-3H3
InChIKeyLROKMQJCURQXFM-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one 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-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
CID 62051971
1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
CID 62052545
N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide
CID 43296275
2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 55000088
2-[methyl(thiolan-3-yl)amino]-2-phenylacetic acid
CID 43296865
2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796353
1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one
CID 63568414
methyl 5-[1-[methyl(thiolan-3-yl)amino]ethyl]furan-2-carboxylate
CID 79084096
ethyl 2-[methyl(thiolan-3-yl)amino]butanoate
CID 64660445
1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 60678397
N'-hydroxy-2-[methyl(thiolan-3-yl)amino]propanimidamide
CID 76915090
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one
CID 63566108

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one?
The IUPAC name of 1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one (CID 62051389) is 1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one is Cc1ccc(C(=O)C(C)N(C)C2CCSC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one?
The InChIKey is LROKMQJCURQXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11-4-6-13(7-5-11)15(17)12(2)16(3)14-8-9-18-10-14/h4-7,12,14H,8-10H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one?
1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one has a molecular weight of 263.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one is sourced from PubChem (CID 62051389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).