2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol

C7H17NS2 — CID 130490537

IUPAC2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol
SMILESCSCCCN(C)CCS
InChIInChI=1S/C7H17NS2/c1-8(5-6-9)4-3-7-10-2/h9H,3-7H2,1-2H3
InChIKeyPDQVCYVBCOBDDV-UHFFFAOYSA-N
MW179.35 g/mol
LogP1.60
Rot. Bonds6

About 2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol

2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol (PubChem CID 130490537) has the molecular formula C7H17NS2 and a molecular weight of 179.35 g/mol. Its IUPAC name is 2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol.

Molecular Properties

Compound Name2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol
PubChem CID130490537
Molecular FormulaC7H17NS2
Molecular Weight179.35 g/mol
Exact Mass179.08
IUPAC Name2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol
SMILESCSCCCN(C)CCS
InChIInChI=1S/C7H17NS2/c1-8(5-6-9)4-3-7-10-2/h9H,3-7H2,1-2H3
InChIKeyPDQVCYVBCOBDDV-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol
CID 101181083
2-[3-fluoropropyl(methyl)amino]ethanethiol
CID 58986379
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
N,N-dimethyl-4-methylsulfanylbutan-1-amine
CID 54463978
1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol
CID 115665602
2-[[(2S)-butan-2-yl]-(3-methylsulfanylpropyl)amino]ethanethiol;methane
CID 142079258
22-methylsulfanyldocosane-1-thiol
CID 153338809
N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine
CID 79644855
N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine
CID 112660737
2-[3-[methyl(3-methylsulfanylpropyl)amino]propoxy]aniline
CID 114236527
4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one
CID 114237475
3-[3-aminopropyl(methyl)amino]propane-1-thiol
CID 88890583

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol?
The IUPAC name of 2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol (CID 130490537) is 2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol.
What is the SMILES notation for 2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol?
The canonical SMILES for 2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol is CSCCCN(C)CCS.
What is the InChIKey of 2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol?
The InChIKey is PDQVCYVBCOBDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS2/c1-8(5-6-9)4-3-7-10-2/h9H,3-7H2,1-2H3.
What are the key properties of 2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol?
2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol has a molecular weight of 179.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol is sourced from PubChem (CID 130490537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).