(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine

C11H20N4S — CID 104910656

IUPAC(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCC[C@H](N)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C11H20N4S/c1-16-7-6-9(12)11-13-10(14-15-11)8-4-2-3-5-8/h8-9H,2-7,12H2,1H3,(H,13,14,15)/t9-/m0/s1
InChIKeyYGUAQHUMSGONJW-VIFPVBQESA-N
MW240.38 g/mol
LogP2.22
Rot. Bonds5

About (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine

(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 104910656) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
PubChem CID104910656
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCC[C@H](N)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C11H20N4S/c1-16-7-6-9(12)11-13-10(14-15-11)8-4-2-3-5-8/h8-9H,2-7,12H2,1H3,(H,13,14,15)/t9-/m0/s1
InChIKeyYGUAQHUMSGONJW-VIFPVBQESA-N
XLogP2.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine (CID 104910656) is (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine is CSCC[C@H](N)c1n[nH]c(C2CCCC2)n1.
What is the InChIKey of (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is YGUAQHUMSGONJW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N4S/c1-16-7-6-9(12)11-13-10(14-15-11)8-4-2-3-5-8/h8-9H,2-7,12H2,1H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 240.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 104910656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).