N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine

C12H21N3S — CID 64906337

IUPACN-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2nccn2C)C1C
InChIInChI=1S/C12H21N3S/c1-4-13-10-5-6-11(9(10)2)16-12-14-7-8-15(12)3/h7-11,13H,4-6H2,1-3H3
InChIKeyHWCWDWLWAOYLOV-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.29
Rot. Bonds4

About N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine

N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine (PubChem CID 64906337) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine
PubChem CID64906337
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2nccn2C)C1C
InChIInChI=1S/C12H21N3S/c1-4-13-10-5-6-11(9(10)2)16-12-14-7-8-15(12)3/h7-11,13H,4-6H2,1-3H3
InChIKeyHWCWDWLWAOYLOV-UHFFFAOYSA-N
XLogP2.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine (CID 64906337) is N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine is CCNC1CCC(Sc2nccn2C)C1C.
What is the InChIKey of N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine?
The InChIKey is HWCWDWLWAOYLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-13-10-5-6-11(9(10)2)16-12-14-7-8-15(12)3/h7-11,13H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine?
N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine is sourced from PubChem (CID 64906337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).