2-cyclopropylsulfanylethanamine

C5H11NS — CID 58684646

IUPAC2-cyclopropylsulfanylethanamine
SMILESNCCSC1CC1
InChIInChI=1S/C5H11NS/c6-3-4-7-5-1-2-5/h5H,1-4,6H2
InChIKeyRWMDVJWCIPQTHO-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.84
Rot. Bonds3

About 2-cyclopropylsulfanylethanamine

2-cyclopropylsulfanylethanamine (PubChem CID 58684646) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 2-cyclopropylsulfanylethanamine.

Molecular Properties

Compound Name2-cyclopropylsulfanylethanamine
PubChem CID58684646
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name2-cyclopropylsulfanylethanamine
SMILESNCCSC1CC1
InChIInChI=1S/C5H11NS/c6-3-4-7-5-1-2-5/h5H,1-4,6H2
InChIKeyRWMDVJWCIPQTHO-UHFFFAOYSA-N
XLogP0.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanylethanamine
CID 23401603
2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine
CID 20776934
4-(3-aminopropylsulfanyl)cyclohexan-1-amine
CID 66219977
2-aminoethanethiol;2-cyclobutylsulfanylethanamine;iodocyclobutane
CID 158701995
2-(2-aminoethylsulfanyl)cyclopentan-1-amine
CID 80662216
cyclohexylsulfanylmethanamine
CID 18729999
[1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine
CID 84680522
4-(2-fluoroethylsulfanyl)piperidine
CID 84651739
3-cyclopentylsulfanylpropanehydrazide
CID 60782274
tert-butyl 3-(2-aminoethylsulfanyl)pyrrolidine-1-carboxylate
CID 66564533
propylsulfanylcyclopentane
CID 534899
2-cyclohexylsulfanylethanethiol
CID 12594005

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfanylethanamine?
The IUPAC name of 2-cyclopropylsulfanylethanamine (CID 58684646) is 2-cyclopropylsulfanylethanamine.
What is the SMILES notation for 2-cyclopropylsulfanylethanamine?
The canonical SMILES for 2-cyclopropylsulfanylethanamine is NCCSC1CC1.
What is the InChIKey of 2-cyclopropylsulfanylethanamine?
The InChIKey is RWMDVJWCIPQTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c6-3-4-7-5-1-2-5/h5H,1-4,6H2.
What are the key properties of 2-cyclopropylsulfanylethanamine?
2-cyclopropylsulfanylethanamine has a molecular weight of 117.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfanylethanamine is sourced from PubChem (CID 58684646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).