1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine

C10H21NO3S — CID 115848376

IUPAC1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine
SMILESCS(=O)(=O)CCC(N)CCC1CCCO1
InChIInChI=1S/C10H21NO3S/c1-15(12,13)8-6-9(11)4-5-10-3-2-7-14-10/h9-10H,2-8,11H2,1H3
InChIKeyGGKSKJAZJJVCPA-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.71
Rot. Bonds6

About 1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine

1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine (PubChem CID 115848376) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine.

Molecular Properties

Compound Name1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine
PubChem CID115848376
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine
SMILESCS(=O)(=O)CCC(N)CCC1CCCO1
InChIInChI=1S/C10H21NO3S/c1-15(12,13)8-6-9(11)4-5-10-3-2-7-14-10/h9-10H,2-8,11H2,1H3
InChIKeyGGKSKJAZJJVCPA-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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Related Compounds

1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine
CID 115848636
1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164455
1-cyclohexyl-5-methylsulfonylpentan-3-amine
CID 115848165
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
6-ethoxy-1-(oxolan-2-yl)hexan-3-amine
CID 105156946
1-(oxan-2-yl)nonan-3-amine
CID 115833397
6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
CID 115849890
1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine
CID 81188285
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine?
The IUPAC name of 1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine (CID 115848376) is 1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine.
What is the SMILES notation for 1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine?
The canonical SMILES for 1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine is CS(=O)(=O)CCC(N)CCC1CCCO1.
What is the InChIKey of 1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine?
The InChIKey is GGKSKJAZJJVCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-15(12,13)8-6-9(11)4-5-10-3-2-7-14-10/h9-10H,2-8,11H2,1H3.
What are the key properties of 1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine?
1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-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 1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine is sourced from PubChem (CID 115848376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).