N-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide

C14H20N2O2S — CID 107748329

IUPACN-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide
SMILESCC(SC1CCOC1C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H20N2O2S/c1-9-13(6-7-18-9)19-10(2)14(17)16-12-5-3-4-11(15)8-12/h3-5,8-10,13H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyBVUCSWCHFYOASI-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.51
Rot. Bonds4

About N-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide

N-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide (PubChem CID 107748329) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide
PubChem CID107748329
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide
SMILESCC(SC1CCOC1C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H20N2O2S/c1-9-13(6-7-18-9)19-10(2)14(17)16-12-5-3-4-11(15)8-12/h3-5,8-10,13H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyBVUCSWCHFYOASI-UHFFFAOYSA-N
XLogP2.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107748313
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide
CID 43610700
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide
CID 107760901
N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide
CID 64730380
N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
CID 82224642
N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223800
N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345469
1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea
CID 114108461
N-(3-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43187503
N-(3-aminophenyl)-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562298

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide?
The IUPAC name of N-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide (CID 107748329) is N-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide is CC(SC1CCOC1C)C(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide?
The InChIKey is BVUCSWCHFYOASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-13(6-7-18-9)19-10(2)14(17)16-12-5-3-4-11(15)8-12/h3-5,8-10,13H,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide?
N-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide has a molecular weight of 280.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide is sourced from PubChem (CID 107748329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).