1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine

C15H22N2O2S — CID 63198381

IUPAC1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(CC1=NS(=O)(=O)c2ccccc21)C(C)(C)C
InChIInChI=1S/C15H22N2O2S/c1-5-16-14(15(2,3)4)10-12-11-8-6-7-9-13(11)20(18,19)17-12/h6-9,14,16H,5,10H2,1-4H3
InChIKeyJNCBKFJBDJLFMS-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.59
Rot. Bonds4

About 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine (PubChem CID 63198381) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine
PubChem CID63198381
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(CC1=NS(=O)(=O)c2ccccc21)C(C)(C)C
InChIInChI=1S/C15H22N2O2S/c1-5-16-14(15(2,3)4)10-12-11-8-6-7-9-13(11)20(18,19)17-12/h6-9,14,16H,5,10H2,1-4H3
InChIKeyJNCBKFJBDJLFMS-UHFFFAOYSA-N
XLogP2.59
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine (CID 63198381) is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine is CCNC(CC1=NS(=O)(=O)c2ccccc21)C(C)(C)C.
What is the InChIKey of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine?
The InChIKey is JNCBKFJBDJLFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-16-14(15(2,3)4)10-12-11-8-6-7-9-13(11)20(18,19)17-12/h6-9,14,16H,5,10H2,1-4H3.
What are the key properties of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine?
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine has a molecular weight of 294.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 63198381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).