3,4-dimethyl-1-methylsulfonylpentan-1-amine

C8H19NO2S — CID 123289513

IUPAC3,4-dimethyl-1-methylsulfonylpentan-1-amine
SMILESCC(C)C(C)CC(N)S(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-6(2)7(3)5-8(9)12(4,10)11/h6-8H,5,9H2,1-4H3
InChIKeyMQMFHKRVSALZHL-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.00
Rot. Bonds4

About 3,4-dimethyl-1-methylsulfonylpentan-1-amine

3,4-dimethyl-1-methylsulfonylpentan-1-amine (PubChem CID 123289513) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 3,4-dimethyl-1-methylsulfonylpentan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-1-methylsulfonylpentan-1-amine
PubChem CID123289513
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name3,4-dimethyl-1-methylsulfonylpentan-1-amine
SMILESCC(C)C(C)CC(N)S(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-6(2)7(3)5-8(9)12(4,10)11/h6-8H,5,9H2,1-4H3
InChIKeyMQMFHKRVSALZHL-UHFFFAOYSA-N
XLogP1.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Fluoro-1,1-dioxothian-4-yl)propan-1-amine
CID 105463187
2-Fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine
CID 106735948
2-(2-Tert-butylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine
CID 106735949
2-(2-Ethylsulfonylethyl)-2-fluoro-3-methylbutan-1-amine
CID 106735950
2-Fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106735951
5-Ethylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine
CID 107443649
3-Fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine
CID 107443676
5-Tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine
CID 107443768
3-Fluoro-5-methylsulfonyl-2-propan-2-ylpentan-1-amine
CID 107443820
3-Fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine
CID 107443827
3-Fluoro-2-propan-2-yl-5-propan-2-ylsulfonylpentan-1-amine
CID 107443846
2-Fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine
CID 112566738

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-methylsulfonylpentan-1-amine?
The IUPAC name of 3,4-dimethyl-1-methylsulfonylpentan-1-amine (CID 123289513) is 3,4-dimethyl-1-methylsulfonylpentan-1-amine.
What is the SMILES notation for 3,4-dimethyl-1-methylsulfonylpentan-1-amine?
The canonical SMILES for 3,4-dimethyl-1-methylsulfonylpentan-1-amine is CC(C)C(C)CC(N)S(C)(=O)=O.
What is the InChIKey of 3,4-dimethyl-1-methylsulfonylpentan-1-amine?
The InChIKey is MQMFHKRVSALZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-6(2)7(3)5-8(9)12(4,10)11/h6-8H,5,9H2,1-4H3.
What are the key properties of 3,4-dimethyl-1-methylsulfonylpentan-1-amine?
3,4-dimethyl-1-methylsulfonylpentan-1-amine has a molecular weight of 193.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-methylsulfonylpentan-1-amine is sourced from PubChem (CID 123289513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).