3-amino-N-pyrimidin-2-ylbenzenesulfinamide

C10H10N4OS — CID 145039688

IUPAC3-amino-N-pyrimidin-2-ylbenzenesulfinamide
SMILESNc1cccc(S(=O)Nc2ncccn2)c1
InChIInChI=1S/C10H10N4OS/c11-8-3-1-4-9(7-8)16(15)14-10-12-5-2-6-13-10/h1-7H,11H2,(H,12,13,14)
InChIKeyHJBTWVRBOBADQQ-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.19
Rot. Bonds3

About 3-amino-N-pyrimidin-2-ylbenzenesulfinamide

3-amino-N-pyrimidin-2-ylbenzenesulfinamide (PubChem CID 145039688) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-amino-N-pyrimidin-2-ylbenzenesulfinamide.

Molecular Properties

Compound Name3-amino-N-pyrimidin-2-ylbenzenesulfinamide
PubChem CID145039688
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name3-amino-N-pyrimidin-2-ylbenzenesulfinamide
SMILESNc1cccc(S(=O)Nc2ncccn2)c1
InChIInChI=1S/C10H10N4OS/c11-8-3-1-4-9(7-8)16(15)14-10-12-5-2-6-13-10/h1-7H,11H2,(H,12,13,14)
InChIKeyHJBTWVRBOBADQQ-UHFFFAOYSA-N
XLogP1.19
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-pyrimidin-2-ylbenzenesulfinamide 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

3-(3-aminophenyl)sulfinylsulfinylaniline
CID 102249291
3-[(2,6-difluorophenyl)methylsulfinyl]aniline
CID 114935213
4-[(3-aminophenyl)sulfinylmethyl]phenol
CID 81181347
3-[(3,4-dichlorophenyl)methylsulfinyl]aniline
CID 81181088
3-[(4-bromophenyl)methylsulfinyl]aniline
CID 81180098
2-(3-aminophenyl)sulfinylacetamide
CID 81180355
4-chloro-3-N-pyrimidin-2-ylbenzene-1,3-diamine
CID 61013625
3-(methoxymethylsulfinyl)aniline
CID 81180021
3-(2-pyrazol-1-ylethylsulfinyl)aniline
CID 81180822
benzene-1,3-diamine;hydron;dichloride
CID 74764421
3-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]aniline
CID 103174682
2-(3-aminophenyl)sulfinyl-N-methylpropanamide
CID 81181250

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pyrimidin-2-ylbenzenesulfinamide?
The IUPAC name of 3-amino-N-pyrimidin-2-ylbenzenesulfinamide (CID 145039688) is 3-amino-N-pyrimidin-2-ylbenzenesulfinamide.
What is the SMILES notation for 3-amino-N-pyrimidin-2-ylbenzenesulfinamide?
The canonical SMILES for 3-amino-N-pyrimidin-2-ylbenzenesulfinamide is Nc1cccc(S(=O)Nc2ncccn2)c1.
What is the InChIKey of 3-amino-N-pyrimidin-2-ylbenzenesulfinamide?
The InChIKey is HJBTWVRBOBADQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c11-8-3-1-4-9(7-8)16(15)14-10-12-5-2-6-13-10/h1-7H,11H2,(H,12,13,14).
What are the key properties of 3-amino-N-pyrimidin-2-ylbenzenesulfinamide?
3-amino-N-pyrimidin-2-ylbenzenesulfinamide has a molecular weight of 234.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pyrimidin-2-ylbenzenesulfinamide is sourced from PubChem (CID 145039688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).