2-(3-methylsulfanylpropylamino)ethanethiol

C6H15NS2 — CID 130737120

IUPAC2-(3-methylsulfanylpropylamino)ethanethiol
SMILESCSCCCNCCS
InChIInChI=1S/C6H15NS2/c1-9-6-2-3-7-4-5-8/h7-8H,2-6H2,1H3
InChIKeyUJAQQEAPUCXFDF-UHFFFAOYSA-N
MW165.33 g/mol
LogP1.26
Rot. Bonds6

About 2-(3-methylsulfanylpropylamino)ethanethiol

2-(3-methylsulfanylpropylamino)ethanethiol (PubChem CID 130737120) has the molecular formula C6H15NS2 and a molecular weight of 165.33 g/mol. Its IUPAC name is 2-(3-methylsulfanylpropylamino)ethanethiol.

Molecular Properties

Compound Name2-(3-methylsulfanylpropylamino)ethanethiol
PubChem CID130737120
Molecular FormulaC6H15NS2
Molecular Weight165.33 g/mol
Exact Mass165.06
IUPAC Name2-(3-methylsulfanylpropylamino)ethanethiol
SMILESCSCCCNCCS
InChIInChI=1S/C6H15NS2/c1-9-6-2-3-7-4-5-8/h7-8H,2-6H2,1H3
InChIKeyUJAQQEAPUCXFDF-UHFFFAOYSA-N
XLogP1.26
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylsulfanylpropyl)butane-1,4-diamine
CID 60895256
6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine
CID 107844865
N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine
CID 103087969
N-(2-ethylsulfonylethyl)-3-methylsulfanylpropan-1-amine
CID 63964934
N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 28615454
N-(4-methylsulfanylbutyl)decan-1-amine
CID 113487512
22-methylsulfanyldocosane-1-thiol
CID 153338809
5-(3-methylsulfanylpropylamino)pentanoic acid
CID 103251996
3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 28654137
3-methyl-N-(3-methylsulfanylpropyl)but-2-en-1-amine
CID 106547202
2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine
CID 103699635
2-chloro-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 63966036

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylpropylamino)ethanethiol?
The IUPAC name of 2-(3-methylsulfanylpropylamino)ethanethiol (CID 130737120) is 2-(3-methylsulfanylpropylamino)ethanethiol.
What is the SMILES notation for 2-(3-methylsulfanylpropylamino)ethanethiol?
The canonical SMILES for 2-(3-methylsulfanylpropylamino)ethanethiol is CSCCCNCCS.
What is the InChIKey of 2-(3-methylsulfanylpropylamino)ethanethiol?
The InChIKey is UJAQQEAPUCXFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS2/c1-9-6-2-3-7-4-5-8/h7-8H,2-6H2,1H3.
What are the key properties of 2-(3-methylsulfanylpropylamino)ethanethiol?
2-(3-methylsulfanylpropylamino)ethanethiol has a molecular weight of 165.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylpropylamino)ethanethiol is sourced from PubChem (CID 130737120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).