1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine

C10H21NO3S — CID 64630980

IUPAC1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine
SMILESCC(CS(C)(=O)=O)NCC1CCCCO1
InChIInChI=1S/C10H21NO3S/c1-9(8-15(2,12)13)11-7-10-5-3-4-6-14-10/h9-11H,3-8H2,1-2H3
InChIKeyFQSBJDFMVSBEHR-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.58
Rot. Bonds5

About 1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine

1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine (PubChem CID 64630980) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine
PubChem CID64630980
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine
SMILESCC(CS(C)(=O)=O)NCC1CCCCO1
InChIInChI=1S/C10H21NO3S/c1-9(8-15(2,12)13)11-7-10-5-3-4-6-14-10/h9-11H,3-8H2,1-2H3
InChIKeyFQSBJDFMVSBEHR-UHFFFAOYSA-N
XLogP0.58
TPSA55.40 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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine (CID 64630980) is 1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine is CC(CS(C)(=O)=O)NCC1CCCCO1.
What is the InChIKey of 1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine?
The InChIKey is FQSBJDFMVSBEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(8-15(2,12)13)11-7-10-5-3-4-6-14-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine?
1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 64630980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).