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

C10H23NO2S — CID 107759125

IUPACN-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine
SMILESCCC(CS(=O)(=O)C(C)C(C)C)NC
InChIInChI=1S/C10H23NO2S/c1-6-10(11-5)7-14(12,13)9(4)8(2)3/h8-11H,6-7H2,1-5H3
InChIKeyJGYNDYYMRNPKMQ-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.44
Rot. Bonds6

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

N-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine (PubChem CID 107759125) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine
PubChem CID107759125
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine
SMILESCCC(CS(=O)(=O)C(C)C(C)C)NC
InChIInChI=1S/C10H23NO2S/c1-6-10(11-5)7-14(12,13)9(4)8(2)3/h8-11H,6-7H2,1-5H3
InChIKeyJGYNDYYMRNPKMQ-UHFFFAOYSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine?
The IUPAC name of N-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine (CID 107759125) is N-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine.
What is the SMILES notation for N-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine?
The canonical SMILES for N-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine is CCC(CS(=O)(=O)C(C)C(C)C)NC.
What is the InChIKey of N-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine?
The InChIKey is JGYNDYYMRNPKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-6-10(11-5)7-14(12,13)9(4)8(2)3/h8-11H,6-7H2,1-5H3.
What are the key properties of N-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine?
N-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine has a molecular weight of 221.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine is sourced from PubChem (CID 107759125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).