2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine

C12H25NO2S — CID 106723838

IUPAC2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
SMILESCC1CCC(NCCS(=O)(=O)C(C)C)C1C
InChIInChI=1S/C12H25NO2S/c1-9(2)16(14,15)8-7-13-12-6-5-10(3)11(12)4/h9-13H,5-8H2,1-4H3
InChIKeyISSRFWGTIFSADL-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.83
Rot. Bonds5

About 2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine

2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine (PubChem CID 106723838) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
PubChem CID106723838
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
SMILESCC1CCC(NCCS(=O)(=O)C(C)C)C1C
InChIInChI=1S/C12H25NO2S/c1-9(2)16(14,15)8-7-13-12-6-5-10(3)11(12)4/h9-13H,5-8H2,1-4H3
InChIKeyISSRFWGTIFSADL-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine
CID 104926952
N-(2-propan-2-ylsulfonylethyl)cyclobutanamine
CID 106723621
3-methyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
CID 106724576
1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine
CID 106723200
N-(2-propan-2-ylsulfonylethyl)-4-propylcyclohexan-1-amine
CID 106723458
N-(2,3-dimethylcyclopentyl)propane-1-sulfonamide
CID 64923274
2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid
CID 64922286
N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide
CID 106069157
2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide
CID 107652077
N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723502
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 106723029
N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine
CID 103409528

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine (CID 106723838) is 2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine is CC1CCC(NCCS(=O)(=O)C(C)C)C1C.
What is the InChIKey of 2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine?
The InChIKey is ISSRFWGTIFSADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-9(2)16(14,15)8-7-13-12-6-5-10(3)11(12)4/h9-13H,5-8H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine?
2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine is sourced from PubChem (CID 106723838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).