N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine

C12H20N2O2S2 — CID 113350821

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCCc1cnc(CNC2CCCC2S(C)(=O)=O)s1
InChIInChI=1S/C12H20N2O2S2/c1-3-9-7-14-12(17-9)8-13-10-5-4-6-11(10)18(2,15)16/h7,10-11,13H,3-6,8H2,1-2H3
InChIKeyOJWQJTWVXRZTNE-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.76
Rot. Bonds5

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 113350821) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID113350821
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCCc1cnc(CNC2CCCC2S(C)(=O)=O)s1
InChIInChI=1S/C12H20N2O2S2/c1-3-9-7-14-12(17-9)8-13-10-5-4-6-11(10)18(2,15)16/h7,10-11,13H,3-6,8H2,1-2H3
InChIKeyOJWQJTWVXRZTNE-UHFFFAOYSA-N
XLogP1.76
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine (CID 113350821) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine is CCc1cnc(CNC2CCCC2S(C)(=O)=O)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is OJWQJTWVXRZTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-3-9-7-14-12(17-9)8-13-10-5-4-6-11(10)18(2,15)16/h7,10-11,13H,3-6,8H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 113350821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).