2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine

C10H18N4S — CID 79863289

IUPAC2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine
SMILESCn1cnnc1SC1CCC(C)(C)C1N
InChIInChI=1S/C10H18N4S/c1-10(2)5-4-7(8(10)11)15-9-13-12-6-14(9)3/h6-8H,4-5,11H2,1-3H3
InChIKeySUXFWYMAQKERAZ-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.42
Rot. Bonds2

About 2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine

2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine (PubChem CID 79863289) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine
PubChem CID79863289
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine
SMILESCn1cnnc1SC1CCC(C)(C)C1N
InChIInChI=1S/C10H18N4S/c1-10(2)5-4-7(8(10)11)15-9-13-12-6-14(9)3/h6-8H,4-5,11H2,1-3H3
InChIKeySUXFWYMAQKERAZ-UHFFFAOYSA-N
XLogP1.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine (CID 79863289) is 2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine is Cn1cnnc1SC1CCC(C)(C)C1N.
What is the InChIKey of 2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine?
The InChIKey is SUXFWYMAQKERAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-10(2)5-4-7(8(10)11)15-9-13-12-6-14(9)3/h6-8H,4-5,11H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine?
2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine has a molecular weight of 226.35 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine is sourced from PubChem (CID 79863289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).