3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine

C11H19N3S — CID 107783909

IUPAC3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Sc2ncc[nH]2)C1
InChIInChI=1S/C11H19N3S/c1-2-5-12-9-3-4-10(8-9)15-11-13-6-7-14-11/h6-7,9-10,12H,2-5,8H2,1H3,(H,13,14)
InChIKeyAJYXWVFXJSQKFI-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.42
Rot. Bonds5

About 3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine

3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine (PubChem CID 107783909) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine
PubChem CID107783909
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Sc2ncc[nH]2)C1
InChIInChI=1S/C11H19N3S/c1-2-5-12-9-3-4-10(8-9)15-11-13-6-7-14-11/h6-7,9-10,12H,2-5,8H2,1H3,(H,13,14)
InChIKeyAJYXWVFXJSQKFI-UHFFFAOYSA-N
XLogP2.42
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64723881
N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine
CID 64718239
3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64724498
3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 64722413
6-(1H-imidazol-2-ylsulfanyl)-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107784035
4-cyclopropyl-3-[3-(propylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 64722681
2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64717791
[1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol
CID 107784575
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine
CID 107783899
3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64718224
2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole
CID 18723020
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine
CID 64722209

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine (CID 107783909) is 3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine is CCCNC1CCC(Sc2ncc[nH]2)C1.
What is the InChIKey of 3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine?
The InChIKey is AJYXWVFXJSQKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-5-12-9-3-4-10(8-9)15-11-13-6-7-14-11/h6-7,9-10,12H,2-5,8H2,1H3,(H,13,14).
What are the key properties of 3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine?
3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 107783909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).