1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine

C12H25NO2S — CID 64674910

IUPAC1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine
SMILESCCCC(CS(=O)(=O)CC1CCCC1)NC
InChIInChI=1S/C12H25NO2S/c1-3-6-12(13-2)10-16(14,15)9-11-7-4-5-8-11/h11-13H,3-10H2,1-2H3
InChIKeyCXOPUORLAQZVER-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds7

About 1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine

1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine (PubChem CID 64674910) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine
PubChem CID64674910
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine
SMILESCCCC(CS(=O)(=O)CC1CCCC1)NC
InChIInChI=1S/C12H25NO2S/c1-3-6-12(13-2)10-16(14,15)9-11-7-4-5-8-11/h11-13H,3-10H2,1-2H3
InChIKeyCXOPUORLAQZVER-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine?
The IUPAC name of 1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine (CID 64674910) is 1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine.
What is the SMILES notation for 1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine?
The canonical SMILES for 1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine is CCCC(CS(=O)(=O)CC1CCCC1)NC.
What is the InChIKey of 1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine?
The InChIKey is CXOPUORLAQZVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-6-12(13-2)10-16(14,15)9-11-7-4-5-8-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine?
1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine is sourced from PubChem (CID 64674910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).