N-methylsulfanylethenamine

C3H7NS — CID 166090975

IUPACN-methylsulfanylethenamine
SMILESC=CNSC
InChIInChI=1S/C3H7NS/c1-3-4-5-2/h3-4H,1H2,2H3
InChIKeySEIPSCRNXTZIAZ-UHFFFAOYSA-N
MW89.16 g/mol
LogP1.00
Rot. Bonds2

About N-methylsulfanylethenamine

N-methylsulfanylethenamine (PubChem CID 166090975) has the molecular formula C3H7NS and a molecular weight of 89.16 g/mol. Its IUPAC name is N-methylsulfanylethenamine.

Molecular Properties

Compound NameN-methylsulfanylethenamine
PubChem CID166090975
Molecular FormulaC3H7NS
Molecular Weight89.16 g/mol
Exact Mass89.03
IUPAC NameN-methylsulfanylethenamine
SMILESC=CNSC
InChIInChI=1S/C3H7NS/c1-3-4-5-2/h3-4H,1H2,2H3
InChIKeySEIPSCRNXTZIAZ-UHFFFAOYSA-N
XLogP1.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methylethenamine;methylsulfanylethene
CID 142827366
ethane;N-methylethenamine
CID 143349321
ethane;ethenylhydrazine
CID 170974612
N-ethenyl-2-[2-(ethenylamino)ethenylsulfanyl]ethenamine
CID 154410935
(Z)-N-ethenyl-N',N'-dimethylethene-1,2-diamine
CID 139522049
N-silylethenamine
CID 149435694
N'-methanimidoyl-N-methylsulfanylmethanimidamide
CID 176543059
(E)-but-2-ene;N-methylethenamine
CID 142150509
1,1,2-tris(methylsulfanyl)ethene
CID 597145
(E)-1-N-ethenylprop-1-ene-1,2-diamine
CID 142054604
N-ethenylformamide;polane
CID 173327800
2-ethenyl-1,1-dimethylhydrazine
CID 18771607

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanylethenamine?
The IUPAC name of N-methylsulfanylethenamine (CID 166090975) is N-methylsulfanylethenamine.
What is the SMILES notation for N-methylsulfanylethenamine?
The canonical SMILES for N-methylsulfanylethenamine is C=CNSC.
What is the InChIKey of N-methylsulfanylethenamine?
The InChIKey is SEIPSCRNXTZIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS/c1-3-4-5-2/h3-4H,1H2,2H3.
What are the key properties of N-methylsulfanylethenamine?
N-methylsulfanylethenamine has a molecular weight of 89.16 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanylethenamine is sourced from PubChem (CID 166090975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).