1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine

C8H18N2S — CID 117237518

IUPAC1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine
SMILESCSCC(N)C1CCN(C)C1
InChIInChI=1S/C8H18N2S/c1-10-4-3-7(5-10)8(9)6-11-2/h7-8H,3-6,9H2,1-2H3
InChIKeyYOUGXHHTPIRTKB-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.63
Rot. Bonds3

About 1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine

1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine (PubChem CID 117237518) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine
PubChem CID117237518
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine
SMILESCSCC(N)C1CCN(C)C1
InChIInChI=1S/C8H18N2S/c1-10-4-3-7(5-10)8(9)6-11-2/h7-8H,3-6,9H2,1-2H3
InChIKeyYOUGXHHTPIRTKB-UHFFFAOYSA-N
XLogP0.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116937646
N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237112
N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237125
1-cyclopentyl-2-methylsulfanylethanamine
CID 62691520
3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850731
3-amino-N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850366
2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine
CID 117239456
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
CID 64775854
2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237295
2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
CID 164659550
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine (CID 117237518) is 1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine is CSCC(N)C1CCN(C)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine?
The InChIKey is YOUGXHHTPIRTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-10-4-3-7(5-10)8(9)6-11-2/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine?
1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine has a molecular weight of 174.31 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine is sourced from PubChem (CID 117237518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).