1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine

C4H13N3S — CID 163527015

IUPAC1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine
SMILESCNC(SC)N(C)N
InChIInChI=1S/C4H13N3S/c1-6-4(8-3)7(2)5/h4,6H,5H2,1-3H3
InChIKeyDPQPZUKQQWMTQF-UHFFFAOYSA-N
MW135.24 g/mol
LogP-0.34
Rot. Bonds3

About 1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine

1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine (PubChem CID 163527015) has the molecular formula C4H13N3S and a molecular weight of 135.24 g/mol. Its IUPAC name is 1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine.

Molecular Properties

Compound Name1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine
PubChem CID163527015
Molecular FormulaC4H13N3S
Molecular Weight135.24 g/mol
Exact Mass135.08
IUPAC Name1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine
SMILESCNC(SC)N(C)N
InChIInChI=1S/C4H13N3S/c1-6-4(8-3)7(2)5/h4,6H,5H2,1-3H3
InChIKeyDPQPZUKQQWMTQF-UHFFFAOYSA-N
XLogP-0.34
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine
CID 123520155
1-methyl-1-methylsulfanylhydrazine
CID 158947899
azane;N,N-dimethylmethanamine;methanamine;N-methylmethanamine
CID 174795186
1-fluoro-1-methylhydrazine
CID 142330194
N-amino-N-(dimethylamino)methanamine
CID 57458956
N-methyl-3-methylsulfanylbutan-2-amine
CID 58654798
1,1-dimethylhydrazine
CID 5976
azane;N,N-dimethylmethanamine;methanamine;methanol;N-methylmethanamine
CID 158599211
N,N',N',N",N"-pentamethylmethanetriamine
CID 118529087
1-[amino(methyl)amino]-N,N-dimethylethanamine
CID 155062112
bis(methylsulfanyl)methyl-methylcyanamide
CID 134322093
2-(methylamino)-2-methylsulfanylacetaldehyde
CID 19837866

Frequently Asked Questions

What is the IUPAC name of 1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine?
The IUPAC name of 1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine (CID 163527015) is 1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine.
What is the SMILES notation for 1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine?
The canonical SMILES for 1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine is CNC(SC)N(C)N.
What is the InChIKey of 1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine?
The InChIKey is DPQPZUKQQWMTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3S/c1-6-4(8-3)7(2)5/h4,6H,5H2,1-3H3.
What are the key properties of 1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine?
1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine has a molecular weight of 135.24 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine is sourced from PubChem (CID 163527015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).