2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol

C9H22N2S2 — CID 101181083

IUPAC2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol
SMILESCSCCN(C)CCN(C)CCS
InChIInChI=1S/C9H22N2S2/c1-10(6-8-12)4-5-11(2)7-9-13-3/h12H,4-9H2,1-3H3
InChIKeyLNNNHAKJDHPQOE-UHFFFAOYSA-N
MW222.42 g/mol
LogP1.14
Rot. Bonds8

About 2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol

2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol (PubChem CID 101181083) has the molecular formula C9H22N2S2 and a molecular weight of 222.42 g/mol. Its IUPAC name is 2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol.

Molecular Properties

Compound Name2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol
PubChem CID101181083
Molecular FormulaC9H22N2S2
Molecular Weight222.42 g/mol
Exact Mass222.12
IUPAC Name2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol
SMILESCSCCN(C)CCN(C)CCS
InChIInChI=1S/C9H22N2S2/c1-10(6-8-12)4-5-11(2)7-9-13-3/h12H,4-9H2,1-3H3
InChIKeyLNNNHAKJDHPQOE-UHFFFAOYSA-N
XLogP1.14
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol
CID 130490537
N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine
CID 112666040
N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine
CID 112660737
2-[3-fluoropropyl(methyl)amino]ethanethiol
CID 58986379
2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine
CID 112661895
N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666080
2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
CID 112660772
N,N-dimethyl-4-methylsulfanylbutan-1-amine
CID 54463978
3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol
CID 112706126
N-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine
CID 78876742
N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
CID 112665474

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol?
The IUPAC name of 2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol (CID 101181083) is 2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol.
What is the SMILES notation for 2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol?
The canonical SMILES for 2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol is CSCCN(C)CCN(C)CCS.
What is the InChIKey of 2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol?
The InChIKey is LNNNHAKJDHPQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2S2/c1-10(6-8-12)4-5-11(2)7-9-13-3/h12H,4-9H2,1-3H3.
What are the key properties of 2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol?
2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol has a molecular weight of 222.42 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol is sourced from PubChem (CID 101181083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).