2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine

C15H25NO2S — CID 106512287

IUPAC2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H25NO2S/c1-12(2)14(11-16-15(3,4)5)19(17,18)13-9-7-6-8-10-13/h6-10,12,14,16H,11H2,1-5H3
InChIKeyPBRQUYSMKLWPFJ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.87
Rot. Bonds5

About 2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine

2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine (PubChem CID 106512287) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine
PubChem CID106512287
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H25NO2S/c1-12(2)14(11-16-15(3,4)5)19(17,18)13-9-7-6-8-10-13/h6-10,12,14,16H,11H2,1-5H3
InChIKeyPBRQUYSMKLWPFJ-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine?
The IUPAC name of 2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine (CID 106512287) is 2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine?
The canonical SMILES for 2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine is CC(C)C(CNC(C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine?
The InChIKey is PBRQUYSMKLWPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12(2)14(11-16-15(3,4)5)19(17,18)13-9-7-6-8-10-13/h6-10,12,14,16H,11H2,1-5H3.
What are the key properties of 2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine?
2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine is sourced from PubChem (CID 106512287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).