5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine

C13H17Cl2NO2S — CID 79863760

IUPAC5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(S(=O)(=O)c2cc(Cl)ccc2Cl)C1N
InChIInChI=1S/C13H17Cl2NO2S/c1-13(2)6-5-10(12(13)16)19(17,18)11-7-8(14)3-4-9(11)15/h3-4,7,10,12H,5-6,16H2,1-2H3
InChIKeyYANYCGMDWHLHKM-UHFFFAOYSA-N
MW322.26 g/mol
LogP3.28
Rot. Bonds2

About 5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine

5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine (PubChem CID 79863760) has the molecular formula C13H17Cl2NO2S and a molecular weight of 322.26 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine
PubChem CID79863760
Molecular FormulaC13H17Cl2NO2S
Molecular Weight322.26 g/mol
Exact Mass321.04
IUPAC Name5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(S(=O)(=O)c2cc(Cl)ccc2Cl)C1N
InChIInChI=1S/C13H17Cl2NO2S/c1-13(2)6-5-10(12(13)16)19(17,18)11-7-8(14)3-4-9(11)15/h3-4,7,10,12H,5-6,16H2,1-2H3
InChIKeyYANYCGMDWHLHKM-UHFFFAOYSA-N
XLogP3.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine
CID 64638826
6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
CID 79847568
1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine
CID 120775638
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine
CID 79862911
5-(3-chloro-4-fluorophenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
CID 115477293
2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
CID 79863440
2-(2,5-dichlorophenyl)sulfonylcyclopentan-1-one
CID 64641762
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide
CID 98557309
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 106672458

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine (CID 79863760) is 5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine is CC1(C)CCC(S(=O)(=O)c2cc(Cl)ccc2Cl)C1N.
What is the InChIKey of 5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine?
The InChIKey is YANYCGMDWHLHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2S/c1-13(2)6-5-10(12(13)16)19(17,18)11-7-8(14)3-4-9(11)15/h3-4,7,10,12H,5-6,16H2,1-2H3.
What are the key properties of 5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine?
5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine has a molecular weight of 322.26 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79863760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).