N-(3-amino-2-methylphenyl)propane-1-sulfinamide

C10H16N2OS — CID 127006142

IUPACN-(3-amino-2-methylphenyl)propane-1-sulfinamide
SMILESCCCS(=O)Nc1cccc(N)c1C
InChIInChI=1S/C10H16N2OS/c1-3-7-14(13)12-10-6-4-5-9(11)8(10)2/h4-6,12H,3,7,11H2,1-2H3
InChIKeyPGDOYNXMJBENDF-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.06
Rot. Bonds4

About N-(3-amino-2-methylphenyl)propane-1-sulfinamide

N-(3-amino-2-methylphenyl)propane-1-sulfinamide (PubChem CID 127006142) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)propane-1-sulfinamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)propane-1-sulfinamide
PubChem CID127006142
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(3-amino-2-methylphenyl)propane-1-sulfinamide
SMILESCCCS(=O)Nc1cccc(N)c1C
InChIInChI=1S/C10H16N2OS/c1-3-7-14(13)12-10-6-4-5-9(11)8(10)2/h4-6,12H,3,7,11H2,1-2H3
InChIKeyPGDOYNXMJBENDF-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)propane-1-sulfinamide?
The IUPAC name of N-(3-amino-2-methylphenyl)propane-1-sulfinamide (CID 127006142) is N-(3-amino-2-methylphenyl)propane-1-sulfinamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)propane-1-sulfinamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)propane-1-sulfinamide is CCCS(=O)Nc1cccc(N)c1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)propane-1-sulfinamide?
The InChIKey is PGDOYNXMJBENDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-7-14(13)12-10-6-4-5-9(11)8(10)2/h4-6,12H,3,7,11H2,1-2H3.
What are the key properties of N-(3-amino-2-methylphenyl)propane-1-sulfinamide?
N-(3-amino-2-methylphenyl)propane-1-sulfinamide has a molecular weight of 212.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)propane-1-sulfinamide is sourced from PubChem (CID 127006142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).