2-N-methyl-4-methylsulfanylbutane-1,2-diamine

C6H16N2S — CID 62065687

IUPAC2-N-methyl-4-methylsulfanylbutane-1,2-diamine
SMILESCNC(CN)CCSC
InChIInChI=1S/C6H16N2S/c1-8-6(5-7)3-4-9-2/h6,8H,3-5,7H2,1-2H3
InChIKeyICTFAGJOWLEBNY-UHFFFAOYSA-N
MW148.28 g/mol
LogP0.29
Rot. Bonds5

About 2-N-methyl-4-methylsulfanylbutane-1,2-diamine

2-N-methyl-4-methylsulfanylbutane-1,2-diamine (PubChem CID 62065687) has the molecular formula C6H16N2S and a molecular weight of 148.28 g/mol. Its IUPAC name is 2-N-methyl-4-methylsulfanylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-4-methylsulfanylbutane-1,2-diamine
PubChem CID62065687
Molecular FormulaC6H16N2S
Molecular Weight148.28 g/mol
Exact Mass148.10
IUPAC Name2-N-methyl-4-methylsulfanylbutane-1,2-diamine
SMILESCNC(CN)CCSC
InChIInChI=1S/C6H16N2S/c1-8-6(5-7)3-4-9-2/h6,8H,3-5,7H2,1-2H3
InChIKeyICTFAGJOWLEBNY-UHFFFAOYSA-N
XLogP0.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 62065657
4-methylsulfanyl-2-N-prop-2-ynylbutane-1,2-diamine
CID 65382385
2-N-methylpropane-1,2,3-triamine
CID 22619064
4-methylsulfanyl-2-N-(1-phenylethyl)butane-1,2-diamine
CID 65193662
(2R)-2-N-methylbutane-1,2-diamine
CID 94343241
N-methyl-1,3-bis(methylsulfanyl)propan-2-amine
CID 100935069
1,4-bis(methylsulfanyl)-N-propan-2-ylbutan-2-amine
CID 156889533
5-methylsulfanyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 103088956
2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine
CID 103088925
5-methylsulfanyl-2-N-prop-2-ynylpentane-1,2-diamine
CID 103088918
2-amino-N-(1-methylsulfanylpentan-3-yl)acetamide
CID 58388308
methyl 2-(methylamino)-4-methylsulfanylbutanoate
CID 23436119

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
The IUPAC name of 2-N-methyl-4-methylsulfanylbutane-1,2-diamine (CID 62065687) is 2-N-methyl-4-methylsulfanylbutane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
The canonical SMILES for 2-N-methyl-4-methylsulfanylbutane-1,2-diamine is CNC(CN)CCSC.
What is the InChIKey of 2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
The InChIKey is ICTFAGJOWLEBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S/c1-8-6(5-7)3-4-9-2/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
2-N-methyl-4-methylsulfanylbutane-1,2-diamine has a molecular weight of 148.28 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-methylsulfanylbutane-1,2-diamine is sourced from PubChem (CID 62065687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).