2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine

C12H22N4S — CID 114687956

IUPAC2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(N)CSC1CCCC1
InChIInChI=1S/C12H22N4S/c1-2-7-16-12(8-14-15-16)11(13)9-17-10-5-3-4-6-10/h8,10-11H,2-7,9,13H2,1H3
InChIKeyMWGCYFGWKGLMII-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.36
Rot. Bonds6

About 2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine

2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine (PubChem CID 114687956) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
PubChem CID114687956
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(N)CSC1CCCC1
InChIInChI=1S/C12H22N4S/c1-2-7-16-12(8-14-15-16)11(13)9-17-10-5-3-4-6-10/h8,10-11H,2-7,9,13H2,1H3
InChIKeyMWGCYFGWKGLMII-UHFFFAOYSA-N
XLogP2.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine
CID 165459865
3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182293
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine
CID 114283418
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114688446
[2-cyclopropyl-1-(3-propyltriazol-4-yl)propyl]hydrazine
CID 105335544
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688224
2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
CID 115834151
6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol
CID 115834042
2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65138602

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine (CID 114687956) is 2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine is CCCn1nncc1C(N)CSC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine?
The InChIKey is MWGCYFGWKGLMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-2-7-16-12(8-14-15-16)11(13)9-17-10-5-3-4-6-10/h8,10-11H,2-7,9,13H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine?
2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114687956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).