2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine

C8H17NO2S — CID 79863440

IUPAC2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
SMILESCC1(C)CCC(S(C)(=O)=O)C1N
InChIInChI=1S/C8H17NO2S/c1-8(2)5-4-6(7(8)9)12(3,10)11/h6-7H,4-5,9H2,1-3H3
InChIKeyOBYIKHRGCSSYKU-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.55
Rot. Bonds1

About 2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine

2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine (PubChem CID 79863440) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
PubChem CID79863440
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
SMILESCC1(C)CCC(S(C)(=O)=O)C1N
InChIInChI=1S/C8H17NO2S/c1-8(2)5-4-6(7(8)9)12(3,10)11/h6-7H,4-5,9H2,1-3H3
InChIKeyOBYIKHRGCSSYKU-UHFFFAOYSA-N
XLogP0.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine
CID 79847216
5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine
CID 79863453
5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine
CID 79862204
N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
CID 79863335
methyl 2-(2-amino-3,3-dimethylcyclopentyl)sulfonylacetate
CID 79863132
2,2-dimethyl-5-(3-methylcyclohexyl)sulfonylcyclopentan-1-amine
CID 79863455
5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine
CID 79863760
trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride
CID 155978246
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine
CID 79862911
(1R)-2,2-dimethylcyclobutan-1-amine
CID 99645727
2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79855043
2-methylsulfonylcyclohexan-1-amine;hydrochloride
CID 122199419

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine (CID 79863440) is 2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine is CC1(C)CCC(S(C)(=O)=O)C1N.
What is the InChIKey of 2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine?
The InChIKey is OBYIKHRGCSSYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2)5-4-6(7(8)9)12(3,10)11/h6-7H,4-5,9H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine?
2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 79863440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).