2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine

C11H19N3S — CID 65138602

IUPAC2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(N)CSC2CCCC2)cn1
InChIInChI=1S/C11H19N3S/c1-14-7-9(6-13-14)11(12)8-15-10-4-2-3-5-10/h6-7,10-11H,2-5,8,12H2,1H3
InChIKeyXTFKQXNBUTUXGS-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.10
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine

2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 65138602) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID65138602
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(N)CSC2CCCC2)cn1
InChIInChI=1S/C11H19N3S/c1-14-7-9(6-13-14)11(12)8-15-10-4-2-3-5-10/h6-7,10-11H,2-5,8,12H2,1H3
InChIKeyXTFKQXNBUTUXGS-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65140108
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291313
2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine
CID 114283418
2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687956
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 104755777
N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291218
1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 115291177
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine
CID 65138714

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine (CID 65138602) is 2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(C(N)CSC2CCCC2)cn1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is XTFKQXNBUTUXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-14-7-9(6-13-14)11(12)8-15-10-4-2-3-5-10/h6-7,10-11H,2-5,8,12H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine?
2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 65138602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).