N-(3-methylphenyl)propane-2-sulfinamide

C10H15NOS — CID 130785579

IUPACN-(3-methylphenyl)propane-2-sulfinamide
SMILESCc1cccc(NS(=O)C(C)C)c1
InChIInChI=1S/C10H15NOS/c1-8(2)13(12)11-10-6-4-5-9(3)7-10/h4-8,11H,1-3H3
InChIKeyZEOHTXZZVNTZMT-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.48
Rot. Bonds3

About N-(3-methylphenyl)propane-2-sulfinamide

N-(3-methylphenyl)propane-2-sulfinamide (PubChem CID 130785579) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-(3-methylphenyl)propane-2-sulfinamide.

Molecular Properties

Compound NameN-(3-methylphenyl)propane-2-sulfinamide
PubChem CID130785579
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-(3-methylphenyl)propane-2-sulfinamide
SMILESCc1cccc(NS(=O)C(C)C)c1
InChIInChI=1S/C10H15NOS/c1-8(2)13(12)11-10-6-4-5-9(3)7-10/h4-8,11H,1-3H3
InChIKeyZEOHTXZZVNTZMT-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
(3-methylanilino)azanium
CID 4555748
N-(3-methylphenyl)acetamide
CID 10843
(3-methylanilino)-oxosulfanium
CID 143284589
(2R,3R)-3-(3-methylanilino)butan-2-ol
CID 25072640
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
3-methyl-N-(2-methylbutyl)aniline
CID 43103774
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide
CID 142166651
N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)propane-2-sulfinamide?
The IUPAC name of N-(3-methylphenyl)propane-2-sulfinamide (CID 130785579) is N-(3-methylphenyl)propane-2-sulfinamide.
What is the SMILES notation for N-(3-methylphenyl)propane-2-sulfinamide?
The canonical SMILES for N-(3-methylphenyl)propane-2-sulfinamide is Cc1cccc(NS(=O)C(C)C)c1.
What is the InChIKey of N-(3-methylphenyl)propane-2-sulfinamide?
The InChIKey is ZEOHTXZZVNTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-8(2)13(12)11-10-6-4-5-9(3)7-10/h4-8,11H,1-3H3.
What are the key properties of N-(3-methylphenyl)propane-2-sulfinamide?
N-(3-methylphenyl)propane-2-sulfinamide has a molecular weight of 197.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)propane-2-sulfinamide is sourced from PubChem (CID 130785579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).