1-(3-methylbutan-2-ylsulfonyl)butan-2-amine

C9H21NO2S — CID 107759266

IUPAC1-(3-methylbutan-2-ylsulfonyl)butan-2-amine
SMILESCCC(N)CS(=O)(=O)C(C)C(C)C
InChIInChI=1S/C9H21NO2S/c1-5-9(10)6-13(11,12)8(4)7(2)3/h7-9H,5-6,10H2,1-4H3
InChIKeyAOOIRUOJJOGELB-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.18
Rot. Bonds5

About 1-(3-methylbutan-2-ylsulfonyl)butan-2-amine

1-(3-methylbutan-2-ylsulfonyl)butan-2-amine (PubChem CID 107759266) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-(3-methylbutan-2-ylsulfonyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-methylbutan-2-ylsulfonyl)butan-2-amine
PubChem CID107759266
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name1-(3-methylbutan-2-ylsulfonyl)butan-2-amine
SMILESCCC(N)CS(=O)(=O)C(C)C(C)C
InChIInChI=1S/C9H21NO2S/c1-5-9(10)6-13(11,12)8(4)7(2)3/h7-9H,5-6,10H2,1-4H3
InChIKeyAOOIRUOJJOGELB-UHFFFAOYSA-N
XLogP1.18
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine
CID 107759125
2-(2-aminobutylsulfonyl)-N-methylpropanamide
CID 81194590
2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide
CID 81194284
2-(3-methylbutan-2-ylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 107759226
2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 107759222
1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine
CID 107759055
2-methylsulfonylpentan-3-amine
CID 62784392
pentan-3-amine;hydroiodide
CID 173436389
3-pentylsulfonylbutan-2-amine
CID 107758703
1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine
CID 81195289
1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine
CID 106735786
(3S)-2-methylheptane-3,5-diamine
CID 145088114

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-ylsulfonyl)butan-2-amine?
The IUPAC name of 1-(3-methylbutan-2-ylsulfonyl)butan-2-amine (CID 107759266) is 1-(3-methylbutan-2-ylsulfonyl)butan-2-amine.
What is the SMILES notation for 1-(3-methylbutan-2-ylsulfonyl)butan-2-amine?
The canonical SMILES for 1-(3-methylbutan-2-ylsulfonyl)butan-2-amine is CCC(N)CS(=O)(=O)C(C)C(C)C.
What is the InChIKey of 1-(3-methylbutan-2-ylsulfonyl)butan-2-amine?
The InChIKey is AOOIRUOJJOGELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-5-9(10)6-13(11,12)8(4)7(2)3/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 1-(3-methylbutan-2-ylsulfonyl)butan-2-amine?
1-(3-methylbutan-2-ylsulfonyl)butan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-ylsulfonyl)butan-2-amine is sourced from PubChem (CID 107759266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).