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

C10H21NO3S — CID 104993731

IUPAC4-methylsulfonyl-1-(oxolan-2-yl)pentan-3-amine
SMILESCC(C(N)CCC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-8(15(2,12)13)10(11)6-5-9-4-3-7-14-9/h8-10H,3-7,11H2,1-2H3
InChIKeyCTFOCSYNFZZSPB-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.71
Rot. Bonds5

About 4-methylsulfonyl-1-(oxolan-2-yl)pentan-3-amine

4-methylsulfonyl-1-(oxolan-2-yl)pentan-3-amine (PubChem CID 104993731) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(oxolan-2-yl)pentan-3-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1-(oxolan-2-yl)pentan-3-amine
PubChem CID104993731
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name4-methylsulfonyl-1-(oxolan-2-yl)pentan-3-amine
SMILESCC(C(N)CCC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-8(15(2,12)13)10(11)6-5-9-4-3-7-14-9/h8-10H,3-7,11H2,1-2H3
InChIKeyCTFOCSYNFZZSPB-UHFFFAOYSA-N
XLogP0.71
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 4-methylsulfonyl-1-(oxolan-2-yl)pentan-3-amine?
The IUPAC name of 4-methylsulfonyl-1-(oxolan-2-yl)pentan-3-amine (CID 104993731) is 4-methylsulfonyl-1-(oxolan-2-yl)pentan-3-amine.
What is the SMILES notation for 4-methylsulfonyl-1-(oxolan-2-yl)pentan-3-amine?
The canonical SMILES for 4-methylsulfonyl-1-(oxolan-2-yl)pentan-3-amine is CC(C(N)CCC1CCCO1)S(C)(=O)=O.
What is the InChIKey of 4-methylsulfonyl-1-(oxolan-2-yl)pentan-3-amine?
The InChIKey is CTFOCSYNFZZSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(15(2,12)13)10(11)6-5-9-4-3-7-14-9/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 4-methylsulfonyl-1-(oxolan-2-yl)pentan-3-amine?
4-methylsulfonyl-1-(oxolan-2-yl)pentan-3-amine has a molecular weight of 235.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(oxolan-2-yl)pentan-3-amine is sourced from PubChem (CID 104993731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).