2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol

C10H22N2S — CID 115224443

IUPAC2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol
SMILESCN(CCS)CCC1CCN(C)C1
InChIInChI=1S/C10H22N2S/c1-11(7-8-13)5-3-10-4-6-12(2)9-10/h10,13H,3-9H2,1-2H3
InChIKeyDVAZCQSMPNQBNF-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.19
Rot. Bonds5

About 2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol

2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol (PubChem CID 115224443) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol.

Molecular Properties

Compound Name2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol
PubChem CID115224443
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol
SMILESCN(CCS)CCC1CCN(C)C1
InChIInChI=1S/C10H22N2S/c1-11(7-8-13)5-3-10-4-6-12(2)9-10/h10,13H,3-9H2,1-2H3
InChIKeyDVAZCQSMPNQBNF-UHFFFAOYSA-N
XLogP1.19
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol
CID 59948989
5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one
CID 115236802
N-(hydrazinylmethyl)-N-methyl-2-(1-methylpiperidin-4-yl)ethanamine
CID 115261373
N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine
CID 115238510
4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one
CID 115240296
2,2-dimethyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115136698
2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115219639
[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]methanol
CID 115229573
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]carbamoyl chloride
CID 115195122
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255793
2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol
CID 115133719
3-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]butanoic acid
CID 115241889

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol?
The IUPAC name of 2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol (CID 115224443) is 2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol.
What is the SMILES notation for 2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol?
The canonical SMILES for 2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol is CN(CCS)CCC1CCN(C)C1.
What is the InChIKey of 2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol?
The InChIKey is DVAZCQSMPNQBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-11(7-8-13)5-3-10-4-6-12(2)9-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol?
2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol has a molecular weight of 202.37 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol is sourced from PubChem (CID 115224443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).