3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine

C12H23NO2S — CID 64904082

IUPAC3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H23NO2S/c1-9-11(13)7-8-12(9)16(14,15)10-5-3-2-4-6-10/h9-12H,2-8,13H2,1H3
InChIKeyYEPBEUQKRJXQHO-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.86
Rot. Bonds2

About 3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine

3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine (PubChem CID 64904082) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine
PubChem CID64904082
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H23NO2S/c1-9-11(13)7-8-12(9)16(14,15)10-5-3-2-4-6-10/h9-12H,2-8,13H2,1H3
InChIKeyYEPBEUQKRJXQHO-UHFFFAOYSA-N
XLogP1.86
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfonylcycloheptan-1-amine
CID 64673719
5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine
CID 79863453
4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64676428
2-(oxan-4-ylsulfonyl)cycloheptan-1-amine
CID 64675294
2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine
CID 64674214
2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine
CID 64675198
2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64673814
2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine
CID 64906105
2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine
CID 64673532
3-cycloheptyl-2-methylcyclopentan-1-amine
CID 82924217
3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine
CID 64904071
2-cyclohexylsulfonyl-4-methylcyclohexane-1-carbonitrile
CID 64691026

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine (CID 64904082) is 3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine is CC1C(N)CCC1S(=O)(=O)C1CCCCC1.
What is the InChIKey of 3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine?
The InChIKey is YEPBEUQKRJXQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-9-11(13)7-8-12(9)16(14,15)10-5-3-2-4-6-10/h9-12H,2-8,13H2,1H3.
What are the key properties of 3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine?
3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64904082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).