N-methyl-N-(2-methylsulfonylethyl)propan-2-amine

C7H17NO2S — CID 59255045

IUPACN-methyl-N-(2-methylsulfonylethyl)propan-2-amine
SMILESCC(C)N(C)CCS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-7(2)8(3)5-6-11(4,9)10/h7H,5-6H2,1-4H3
InChIKeyAXRPIYUUCWBXPE-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.37
Rot. Bonds4

About N-methyl-N-(2-methylsulfonylethyl)propan-2-amine

N-methyl-N-(2-methylsulfonylethyl)propan-2-amine (PubChem CID 59255045) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)propan-2-amine
PubChem CID59255045
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)propan-2-amine
SMILESCC(C)N(C)CCS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-7(2)8(3)5-6-11(4,9)10/h7H,5-6H2,1-4H3
InChIKeyAXRPIYUUCWBXPE-UHFFFAOYSA-N
XLogP0.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)propan-2-amine?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)propan-2-amine (CID 59255045) is N-methyl-N-(2-methylsulfonylethyl)propan-2-amine.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)propan-2-amine?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)propan-2-amine is CC(C)N(C)CCS(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)propan-2-amine?
The InChIKey is AXRPIYUUCWBXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-7(2)8(3)5-6-11(4,9)10/h7H,5-6H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)propan-2-amine?
N-methyl-N-(2-methylsulfonylethyl)propan-2-amine has a molecular weight of 179.28 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)propan-2-amine is sourced from PubChem (CID 59255045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).