2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide

C14H20N2O2S — CID 81191221

IUPAC2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide
SMILESCc1c(N)cccc1S(=O)CC(=O)NC1CCCC1
InChIInChI=1S/C14H20N2O2S/c1-10-12(15)7-4-8-13(10)19(18)9-14(17)16-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9,15H2,1H3,(H,16,17)
InChIKeyLLABFDHJFQWGCX-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.74
Rot. Bonds4

About 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide

2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide (PubChem CID 81191221) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide
PubChem CID81191221
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide
SMILESCc1c(N)cccc1S(=O)CC(=O)NC1CCCC1
InChIInChI=1S/C14H20N2O2S/c1-10-12(15)7-4-8-13(10)19(18)9-14(17)16-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9,15H2,1H3,(H,16,17)
InChIKeyLLABFDHJFQWGCX-UHFFFAOYSA-N
XLogP1.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide
CID 61366715
2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide
CID 81190714
2-(3-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
CID 81190716
2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide
CID 63098374
N-cyclohexyl-2-(2-fluorophenyl)sulfinylacetamide
CID 63792281
2-(4-amino-2-bromophenyl)sulfinyl-N-cyclopentylacetamide
CID 82833917
2-(3-amino-2-methylphenyl)sulfinyl-1-pyrrolidin-1-ylethanone
CID 81191386
2-(3-amino-2-methylphenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81190292
2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide
CID 81207741
3-amino-N-cyclobutyl-2-methylbenzamide
CID 62416681
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide
CID 81174688
N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide
CID 61286420

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide?
The IUPAC name of 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide (CID 81191221) is 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide?
The canonical SMILES for 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide is Cc1c(N)cccc1S(=O)CC(=O)NC1CCCC1.
What is the InChIKey of 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide?
The InChIKey is LLABFDHJFQWGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-12(15)7-4-8-13(10)19(18)9-14(17)16-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9,15H2,1H3,(H,16,17).
What are the key properties of 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide?
2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide has a molecular weight of 280.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide is sourced from PubChem (CID 81191221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).