1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine

C12H21N3S — CID 104755786

IUPAC1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
SMILESCNC(CSc1cnn(C)c1)C1CCCC1
InChIInChI=1S/C12H21N3S/c1-13-12(10-5-3-4-6-10)9-16-11-7-14-15(2)8-11/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeyPNLUNAFMOSWFDO-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.29
Rot. Bonds5

About 1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine

1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine (PubChem CID 104755786) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
PubChem CID104755786
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
SMILESCNC(CSc1cnn(C)c1)C1CCCC1
InChIInChI=1S/C12H21N3S/c1-13-12(10-5-3-4-6-10)9-16-11-7-14-15(2)8-11/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeyPNLUNAFMOSWFDO-UHFFFAOYSA-N
XLogP2.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 104755777
1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755248
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
2-(4-tert-butylphenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 104755455
2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755787
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
1-cyclohexyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylethanamine
CID 113449522
2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65140108
2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82931115
2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
CID 66147681
2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485883

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
The IUPAC name of 1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine (CID 104755786) is 1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine is CNC(CSc1cnn(C)c1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
The InChIKey is PNLUNAFMOSWFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-13-12(10-5-3-4-6-10)9-16-11-7-14-15(2)8-11/h7-8,10,12-13H,3-6,9H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine has a molecular weight of 239.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine is sourced from PubChem (CID 104755786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).