3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine

C12H24N2S — CID 114547193

IUPAC3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine
SMILESCC1CCC(NCCC2CSCCN2)C1
InChIInChI=1S/C12H24N2S/c1-10-2-3-11(8-10)13-5-4-12-9-15-7-6-14-12/h10-14H,2-9H2,1H3
InChIKeyLIUKNWLPVROVNW-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.86
Rot. Bonds4

About 3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine

3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine (PubChem CID 114547193) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine
PubChem CID114547193
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine
SMILESCC1CCC(NCCC2CSCCN2)C1
InChIInChI=1S/C12H24N2S/c1-10-2-3-11(8-10)13-5-4-12-9-15-7-6-14-12/h10-14H,2-9H2,1H3
InChIKeyLIUKNWLPVROVNW-UHFFFAOYSA-N
XLogP1.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-fluorocyclopentyl)methyl]thian-3-amine
CID 130637851
N-[(1-fluorocyclopentyl)methyl]thian-4-amine
CID 131159823
N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-(methylthio)butan-2-amine
CID 50959965
6,7-Dimethyl-1,4-dithia-8-aza-spiro[4.5]decane
CID 6420750
3-[2-(Ethylsulfanyl)ethyl]piperidine
CID 62356022
2,8-Dimethyl-1-thia-8-azaspiro[4.5]decan-3-amine
CID 66993394
4-Methyl-1-thia-8-azaspiro[4.5]decane
CID 91551256
9-Thia-6-azaspiro[4.5]decane
CID 118209687
2-Cyclopentylthiomorpholine
CID 121207498
7-(Ethylsulfanylmethyl)-2-azabicyclo[2.2.1]heptane
CID 123269938
3-(2-Methylbutyl)thiomorpholine
CID 123288407
8-Methyl-1-thia-8-azaspiro[4.5]decan-4-amine
CID 135228318

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine (CID 114547193) is 3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine is CC1CCC(NCCC2CSCCN2)C1.
What is the InChIKey of 3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine?
The InChIKey is LIUKNWLPVROVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10-2-3-11(8-10)13-5-4-12-9-15-7-6-14-12/h10-14H,2-9H2,1H3.
What are the key properties of 3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine?
3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine has a molecular weight of 228.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine is sourced from PubChem (CID 114547193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).