5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine

C10H21NO3S — CID 63192310

IUPAC5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine
SMILESCS(=O)(=O)CCCC(N)CC1CCCO1
InChIInChI=1S/C10H21NO3S/c1-15(12,13)7-3-4-9(11)8-10-5-2-6-14-10/h9-10H,2-8,11H2,1H3
InChIKeyUATOOUSYPWXXJR-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.71
Rot. Bonds6

About 5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine

5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine (PubChem CID 63192310) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine
PubChem CID63192310
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine
SMILESCS(=O)(=O)CCCC(N)CC1CCCO1
InChIInChI=1S/C10H21NO3S/c1-15(12,13)7-3-4-9(11)8-10-5-2-6-14-10/h9-10H,2-8,11H2,1H3
InChIKeyUATOOUSYPWXXJR-UHFFFAOYSA-N
XLogP0.71
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of 5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine (CID 63192310) is 5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for 5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for 5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine is CS(=O)(=O)CCCC(N)CC1CCCO1.
What is the InChIKey of 5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine?
The InChIKey is UATOOUSYPWXXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-15(12,13)7-3-4-9(11)8-10-5-2-6-14-10/h9-10H,2-8,11H2,1H3.
What are the key properties of 5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine?
5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-1-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 63192310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).