N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine

C12H21N3S — CID 107784030

IUPACN-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(Sc2ncc[nH]2)CCC1(C)C
InChIInChI=1S/C12H21N3S/c1-4-13-10-9(5-6-12(10,2)3)16-11-14-7-8-15-11/h7-10,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyMIIICTPKHDBRRF-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.67
Rot. Bonds4

About N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine

N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine (PubChem CID 107784030) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine
PubChem CID107784030
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(Sc2ncc[nH]2)CCC1(C)C
InChIInChI=1S/C12H21N3S/c1-4-13-10-9(5-6-12(10,2)3)16-11-14-7-8-15-11/h7-10,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyMIIICTPKHDBRRF-UHFFFAOYSA-N
XLogP2.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine
CID 107783899
N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine
CID 79862977
N-ethyl-2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine
CID 79863183
N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine
CID 79866369
N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine
CID 79862965
2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
CID 79863172
4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine
CID 107783843
2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 79862776
5-butan-2-ylsulfanyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863499
3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 107783909
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine
CID 79863622
4-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclohexane-1-carboxylic acid
CID 107782746

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine (CID 107784030) is N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine is CCNC1C(Sc2ncc[nH]2)CCC1(C)C.
What is the InChIKey of N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine?
The InChIKey is MIIICTPKHDBRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-13-10-9(5-6-12(10,2)3)16-11-14-7-8-15-11/h7-10,13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine?
N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 107784030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).