N-pyridin-4-ylsulfanylaniline

C11H10N2S — CID 154074799

IUPACN-pyridin-4-ylsulfanylaniline
SMILESc1ccc(NSc2ccncc2)cc1
InChIInChI=1S/C11H10N2S/c1-2-4-10(5-3-1)13-14-11-6-8-12-9-7-11/h1-9,13H
InChIKeyNFXKZDRZGBFQRC-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.20
Rot. Bonds3

About N-pyridin-4-ylsulfanylaniline

N-pyridin-4-ylsulfanylaniline (PubChem CID 154074799) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-pyridin-4-ylsulfanylaniline.

Molecular Properties

Compound NameN-pyridin-4-ylsulfanylaniline
PubChem CID154074799
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC NameN-pyridin-4-ylsulfanylaniline
SMILESc1ccc(NSc2ccncc2)cc1
InChIInChI=1S/C11H10N2S/c1-2-4-10(5-3-1)13-14-11-6-8-12-9-7-11/h1-9,13H
InChIKeyNFXKZDRZGBFQRC-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-pyridin-4-ylsulfanylaniline 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

N-(4-tert-butylphenyl)sulfanylaniline
CID 145226245
4-N-(4-aminophenyl)sulfanyl-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157043975
phenylhydrazine;pyridine
CID 161174027
3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide
CID 170977014
2-N-(4-anilinophenyl)-3-N-phenylsulfanylquinoxaline-2,3-diamine
CID 143442867
3-anilino-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 139778461
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
(E)-3-amino-2-[N'-[4-(pyridin-4-ylamino)sulfanylphenyl]carbamimidoyl]prop-2-enamide
CID 130284951
N-phenylsulfanylquinolin-8-amine
CID 123285595
N-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide
CID 170976894
N-methylazecin-6-amine
CID 146292904
azane;4-phenylpyridine
CID 175775455

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-ylsulfanylaniline?
The IUPAC name of N-pyridin-4-ylsulfanylaniline (CID 154074799) is N-pyridin-4-ylsulfanylaniline.
What is the SMILES notation for N-pyridin-4-ylsulfanylaniline?
The canonical SMILES for N-pyridin-4-ylsulfanylaniline is c1ccc(NSc2ccncc2)cc1.
What is the InChIKey of N-pyridin-4-ylsulfanylaniline?
The InChIKey is NFXKZDRZGBFQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-2-4-10(5-3-1)13-14-11-6-8-12-9-7-11/h1-9,13H.
What are the key properties of N-pyridin-4-ylsulfanylaniline?
N-pyridin-4-ylsulfanylaniline has a molecular weight of 202.28 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-ylsulfanylaniline is sourced from PubChem (CID 154074799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).