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

C11H19N3S — CID 104755777

IUPAC1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
SMILESCn1cc(SCC(N)C2CCCC2)cn1
InChIInChI=1S/C11H19N3S/c1-14-7-10(6-13-14)15-8-11(12)9-4-2-3-5-9/h6-7,9,11H,2-5,8,12H2,1H3
InChIKeyBOSOHFRTYGVTOG-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.03
Rot. Bonds4

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

1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine (PubChem CID 104755777) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
PubChem CID104755777
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
SMILESCn1cc(SCC(N)C2CCCC2)cn1
InChIInChI=1S/C11H19N3S/c1-14-7-10(6-13-14)15-8-11(12)9-4-2-3-5-9/h6-7,9,11H,2-5,8,12H2,1H3
InChIKeyBOSOHFRTYGVTOG-UHFFFAOYSA-N
XLogP2.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755787
1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 104755786
1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
CID 66064798
3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol
CID 64900094
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64627788
1-cyclohexyl-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 104755796
1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64625808
1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine
CID 104755358
1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine
CID 104755863
2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65138602
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
CID 113449492
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
The IUPAC name of 1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine (CID 104755777) is 1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
The canonical SMILES for 1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine is Cn1cc(SCC(N)C2CCCC2)cn1.
What is the InChIKey of 1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
The InChIKey is BOSOHFRTYGVTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-14-7-10(6-13-14)15-8-11(12)9-4-2-3-5-9/h6-7,9,11H,2-5,8,12H2,1H3.
What are the key properties of 1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine is sourced from PubChem (CID 104755777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).