(2S)-4-methyl-1-methylsulfonylpentan-2-amine

C7H17NO2S — CID 94451359

IUPAC(2S)-4-methyl-1-methylsulfonylpentan-2-amine
SMILESCC(C)C[C@H](N)CS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-6(2)4-7(8)5-11(3,9)10/h6-7H,4-5,8H2,1-3H3/t7-/m0/s1
InChIKeyQVZZETZFYSNNSK-ZETCQYMHSA-N
MW179.28 g/mol
LogP0.40
Rot. Bonds4

About (2S)-4-methyl-1-methylsulfonylpentan-2-amine

(2S)-4-methyl-1-methylsulfonylpentan-2-amine (PubChem CID 94451359) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is (2S)-4-methyl-1-methylsulfonylpentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-methylsulfonylpentan-2-amine
PubChem CID94451359
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name(2S)-4-methyl-1-methylsulfonylpentan-2-amine
SMILESCC(C)C[C@H](N)CS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-6(2)4-7(8)5-11(3,9)10/h6-7H,4-5,8H2,1-3H3/t7-/m0/s1
InChIKeyQVZZETZFYSNNSK-ZETCQYMHSA-N
XLogP0.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-methylsulfonylpentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-methylsulfonylpentan-2-amine (CID 94451359) is (2S)-4-methyl-1-methylsulfonylpentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-methylsulfonylpentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-methylsulfonylpentan-2-amine is CC(C)C[C@H](N)CS(C)(=O)=O.
What is the InChIKey of (2S)-4-methyl-1-methylsulfonylpentan-2-amine?
The InChIKey is QVZZETZFYSNNSK-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-6(2)4-7(8)5-11(3,9)10/h6-7H,4-5,8H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-4-methyl-1-methylsulfonylpentan-2-amine?
(2S)-4-methyl-1-methylsulfonylpentan-2-amine has a molecular weight of 179.28 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-methylsulfonylpentan-2-amine is sourced from PubChem (CID 94451359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).