5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine

C13H27NO2S — CID 65262743

IUPAC5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C13H27NO2S/c1-13(2,11-14)8-5-9-17(15,16)10-12-6-3-4-7-12/h12H,3-11,14H2,1-2H3
InChIKeyDMOVGXOQAXAGDD-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.36
Rot. Bonds7

About 5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine

5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine (PubChem CID 65262743) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine
PubChem CID65262743
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C13H27NO2S/c1-13(2,11-14)8-5-9-17(15,16)10-12-6-3-4-7-12/h12H,3-11,14H2,1-2H3
InChIKeyDMOVGXOQAXAGDD-UHFFFAOYSA-N
XLogP2.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine (CID 65262743) is 5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine is CC(C)(CN)CCCS(=O)(=O)CC1CCCC1.
What is the InChIKey of 5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine?
The InChIKey is DMOVGXOQAXAGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-13(2,11-14)8-5-9-17(15,16)10-12-6-3-4-7-12/h12H,3-11,14H2,1-2H3.
What are the key properties of 5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine?
5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethylsulfonyl)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65262743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).