(R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide

C13H21NOS — CID 140937180

IUPAC(R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide
SMILESCc1cccc(C(C)N[S@](=O)C(C)(C)C)c1
InChIInChI=1S/C13H21NOS/c1-10-7-6-8-12(9-10)11(2)14-16(15)13(3,4)5/h6-9,11,14H,1-5H3/t11?,16-/m1/s1
InChIKeyGYJVHJKTLAJJFI-WVQRXBFSSA-N
MW239.38 g/mol
LogP3.11
Rot. Bonds3

About (R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide

(R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide (PubChem CID 140937180) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is (R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide
PubChem CID140937180
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name(R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide
SMILESCc1cccc(C(C)N[S@](=O)C(C)(C)C)c1
InChIInChI=1S/C13H21NOS/c1-10-7-6-8-12(9-10)11(2)14-16(15)13(3,4)5/h6-9,11,14H,1-5H3/t11?,16-/m1/s1
InChIKeyGYJVHJKTLAJJFI-WVQRXBFSSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide 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

N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414582
(R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414588
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 172536135
(S)-2-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]propane-2-sulfinamide
CID 67510383
tert-butyl 3-[1-(tert-butylsulfinylamino)ethyl]benzoate
CID 76779879
2-methyl-N-[(1R)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512780
methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate
CID 43787172
(S)-2-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]propane-2-sulfinamide;(1S)-1-[3-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 157229998
(S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86732639
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide
CID 1009881
N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86640807

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide (CID 140937180) is (R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide is Cc1cccc(C(C)N[S@](=O)C(C)(C)C)c1.
What is the InChIKey of (R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide?
The InChIKey is GYJVHJKTLAJJFI-WVQRXBFSSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-7-6-8-12(9-10)11(2)14-16(15)13(3,4)5/h6-9,11,14H,1-5H3/t11?,16-/m1/s1.
What are the key properties of (R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide?
(R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide has a molecular weight of 239.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 140937180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).