3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine

C13H25NO2S — CID 64903882

IUPAC3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)(=O)CC2CCCC2)C1C
InChIInChI=1S/C13H25NO2S/c1-10-12(14-2)7-8-13(10)17(15,16)9-11-5-3-4-6-11/h10-14H,3-9H2,1-2H3
InChIKeySNXAZNVNUPPFBB-UHFFFAOYSA-N
MW259.41 g/mol
LogP1.98
Rot. Bonds4

About 3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine

3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine (PubChem CID 64903882) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine
PubChem CID64903882
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)(=O)CC2CCCC2)C1C
InChIInChI=1S/C13H25NO2S/c1-10-12(14-2)7-8-13(10)17(15,16)9-11-5-3-4-6-11/h10-14H,3-9H2,1-2H3
InChIKeySNXAZNVNUPPFBB-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine (CID 64903882) is 3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine is CNC1CCC(S(=O)(=O)CC2CCCC2)C1C.
What is the InChIKey of 3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine?
The InChIKey is SNXAZNVNUPPFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-10-12(14-2)7-8-13(10)17(15,16)9-11-5-3-4-6-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine?
3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine has a molecular weight of 259.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64903882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).