5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine

C13H25NO2S — CID 79863453

IUPAC5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(S(=O)(=O)C2CCCCC2)C1N
InChIInChI=1S/C13H25NO2S/c1-13(2)9-8-11(12(13)14)17(15,16)10-6-4-3-5-7-10/h10-12H,3-9,14H2,1-2H3
InChIKeyWDVYTIZXVSZZGY-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.25
Rot. Bonds2

About 5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine

5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine (PubChem CID 79863453) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine
PubChem CID79863453
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(S(=O)(=O)C2CCCCC2)C1N
InChIInChI=1S/C13H25NO2S/c1-13(2)9-8-11(12(13)14)17(15,16)10-6-4-3-5-7-10/h10-12H,3-9,14H2,1-2H3
InChIKeyWDVYTIZXVSZZGY-UHFFFAOYSA-N
XLogP2.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-(3-methylcyclohexyl)sulfonylcyclopentan-1-amine
CID 79863455
2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
CID 79863440
2-cyclopentylsulfonylcycloheptan-1-amine
CID 64673719
3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine
CID 64904082
2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine
CID 79847216
5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine
CID 79862204
6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847934
2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine
CID 64674214
2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine
CID 64675198
methyl 2-(2-amino-3,3-dimethylcyclopentyl)sulfonylacetate
CID 79863132
N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine
CID 79862616
2,2-dimethylcyclohexane-1-sulfonamide
CID 79853473

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine (CID 79863453) is 5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine is CC1(C)CCC(S(=O)(=O)C2CCCCC2)C1N.
What is the InChIKey of 5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine?
The InChIKey is WDVYTIZXVSZZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-13(2)9-8-11(12(13)14)17(15,16)10-6-4-3-5-7-10/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine?
5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine has a molecular weight of 259.41 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79863453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).