2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide

C10H23NOS — CID 101468580

IUPAC2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide
SMILESCC[C@H](NS(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C10H23NOS/c1-7-9(8(2)3)11-13(12)10(4,5)6/h8-9,11H,7H2,1-6H3/t9-,13?/m0/s1
InChIKeyXYEGTHFAUXYIJM-LLTODGECSA-N
MW205.37 g/mol
LogP2.47
Rot. Bonds4

About 2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide

2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide (PubChem CID 101468580) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide
PubChem CID101468580
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide
SMILESCC[C@H](NS(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C10H23NOS/c1-7-9(8(2)3)11-13(12)10(4,5)6/h8-9,11H,7H2,1-6H3/t9-,13?/m0/s1
InChIKeyXYEGTHFAUXYIJM-LLTODGECSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-[(3S)-2-methylpentan-3-yl]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

(R)-N-[(2R)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056564
(3S)-3-[[(R)-tert-butylsulfinyl]amino]-4-methylpentanoic acid
CID 11031847
N-[(3S,5S)-5-hydroxy-2,6,6-trimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 53487465
N-[(2R)-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 102403460
ethyl (5R)-5-[[(R)-tert-butylsulfinyl]amino]-6-methylheptanoate
CID 71661937
(S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide
CID 135057244
N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide
CID 102254700
(R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide
CID 11231808
N-[(2R)-hexan-2-yl]-2-methylpropane-2-sulfinamide
CID 101035801
ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate
CID 10751477
2-tert-butylsulfinyl-N-ethylpentan-3-amine
CID 64652351
(S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide
CID 124563966

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide (CID 101468580) is 2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide is CC[C@H](NS(=O)C(C)(C)C)C(C)C.
What is the InChIKey of 2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide?
The InChIKey is XYEGTHFAUXYIJM-LLTODGECSA-N. The full InChI is InChI=1S/C10H23NOS/c1-7-9(8(2)3)11-13(12)10(4,5)6/h8-9,11H,7H2,1-6H3/t9-,13?/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide?
2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide has a molecular weight of 205.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 101468580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).