2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline

C15H18N2S — CID 10400315

IUPAC2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline
SMILESCN(C)Cc1ccccc1Sc1ccccc1N
InChIInChI=1S/C15H18N2S/c1-17(2)11-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h3-10H,11,16H2,1-2H3
InChIKeyUSOGSVQPPWDNQD-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.48
Rot. Bonds4

About 2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline

2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline (PubChem CID 10400315) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline
PubChem CID10400315
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline
SMILESCN(C)Cc1ccccc1Sc1ccccc1N
InChIInChI=1S/C15H18N2S/c1-17(2)11-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h3-10H,11,16H2,1-2H3
InChIKeyUSOGSVQPPWDNQD-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline?
The IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline (CID 10400315) is 2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline is CN(C)Cc1ccccc1Sc1ccccc1N.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline?
The InChIKey is USOGSVQPPWDNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-17(2)11-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h3-10H,11,16H2,1-2H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline?
2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline has a molecular weight of 258.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline is sourced from PubChem (CID 10400315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).