4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline

C10H15N3S — CID 142999337

IUPAC4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline
SMILESCNc1ccc(/C(N)=C/SCN)cc1
InChIInChI=1S/C10H15N3S/c1-13-9-4-2-8(3-5-9)10(12)6-14-7-11/h2-6,13H,7,11-12H2,1H3/b10-6-
InChIKeyIEFKWUGUKGDTCC-POHAHGRESA-N
MW209.32 g/mol
LogP1.63
Rot. Bonds4

About 4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline

4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline (PubChem CID 142999337) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline
PubChem CID142999337
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline
SMILESCNc1ccc(/C(N)=C/SCN)cc1
InChIInChI=1S/C10H15N3S/c1-13-9-4-2-8(3-5-9)10(12)6-14-7-11/h2-6,13H,7,11-12H2,1H3/b10-6-
InChIKeyIEFKWUGUKGDTCC-POHAHGRESA-N
XLogP1.63
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline?
The IUPAC name of 4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline (CID 142999337) is 4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline is CNc1ccc(/C(N)=C/SCN)cc1.
What is the InChIKey of 4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline?
The InChIKey is IEFKWUGUKGDTCC-POHAHGRESA-N. The full InChI is InChI=1S/C10H15N3S/c1-13-9-4-2-8(3-5-9)10(12)6-14-7-11/h2-6,13H,7,11-12H2,1H3/b10-6-.
What are the key properties of 4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline?
4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline has a molecular weight of 209.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline is sourced from PubChem (CID 142999337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).