2-butan-2-ylsulfonyl-N-methylpentan-3-amine

C10H23NO2S — CID 64645279

IUPAC2-butan-2-ylsulfonyl-N-methylpentan-3-amine
SMILESCCC(NC)C(C)S(=O)(=O)C(C)CC
InChIInChI=1S/C10H23NO2S/c1-6-8(3)14(12,13)9(4)10(7-2)11-5/h8-11H,6-7H2,1-5H3
InChIKeyJLZMGGWWAOSCLT-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.59
Rot. Bonds6

About 2-butan-2-ylsulfonyl-N-methylpentan-3-amine

2-butan-2-ylsulfonyl-N-methylpentan-3-amine (PubChem CID 64645279) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-butan-2-ylsulfonyl-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-butan-2-ylsulfonyl-N-methylpentan-3-amine
PubChem CID64645279
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name2-butan-2-ylsulfonyl-N-methylpentan-3-amine
SMILESCCC(NC)C(C)S(=O)(=O)C(C)CC
InChIInChI=1S/C10H23NO2S/c1-6-8(3)14(12,13)9(4)10(7-2)11-5/h8-11H,6-7H2,1-5H3
InChIKeyJLZMGGWWAOSCLT-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfonyl-N-methylpentan-3-amine?
The IUPAC name of 2-butan-2-ylsulfonyl-N-methylpentan-3-amine (CID 64645279) is 2-butan-2-ylsulfonyl-N-methylpentan-3-amine.
What is the SMILES notation for 2-butan-2-ylsulfonyl-N-methylpentan-3-amine?
The canonical SMILES for 2-butan-2-ylsulfonyl-N-methylpentan-3-amine is CCC(NC)C(C)S(=O)(=O)C(C)CC.
What is the InChIKey of 2-butan-2-ylsulfonyl-N-methylpentan-3-amine?
The InChIKey is JLZMGGWWAOSCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-6-8(3)14(12,13)9(4)10(7-2)11-5/h8-11H,6-7H2,1-5H3.
What are the key properties of 2-butan-2-ylsulfonyl-N-methylpentan-3-amine?
2-butan-2-ylsulfonyl-N-methylpentan-3-amine has a molecular weight of 221.37 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfonyl-N-methylpentan-3-amine is sourced from PubChem (CID 64645279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).