1-tert-butyl-N-methylazetidine-3-sulfonamide

C8H18N2O2S — CID 163600664

IUPAC1-tert-butyl-N-methylazetidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CN(C(C)(C)C)C1
InChIInChI=1S/C8H18N2O2S/c1-8(2,3)10-5-7(6-10)13(11,12)9-4/h7,9H,5-6H2,1-4H3
InChIKeyGXIHELPYIBVJFU-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.02
Rot. Bonds2

About 1-tert-butyl-N-methylazetidine-3-sulfonamide

1-tert-butyl-N-methylazetidine-3-sulfonamide (PubChem CID 163600664) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-tert-butyl-N-methylazetidine-3-sulfonamide.

Molecular Properties

Compound Name1-tert-butyl-N-methylazetidine-3-sulfonamide
PubChem CID163600664
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-tert-butyl-N-methylazetidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CN(C(C)(C)C)C1
InChIInChI=1S/C8H18N2O2S/c1-8(2,3)10-5-7(6-10)13(11,12)9-4/h7,9H,5-6H2,1-4H3
InChIKeyGXIHELPYIBVJFU-UHFFFAOYSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-methylazetidine-3-sulfonamide?
The IUPAC name of 1-tert-butyl-N-methylazetidine-3-sulfonamide (CID 163600664) is 1-tert-butyl-N-methylazetidine-3-sulfonamide.
What is the SMILES notation for 1-tert-butyl-N-methylazetidine-3-sulfonamide?
The canonical SMILES for 1-tert-butyl-N-methylazetidine-3-sulfonamide is CNS(=O)(=O)C1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-methylazetidine-3-sulfonamide?
The InChIKey is GXIHELPYIBVJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8(2,3)10-5-7(6-10)13(11,12)9-4/h7,9H,5-6H2,1-4H3.
What are the key properties of 1-tert-butyl-N-methylazetidine-3-sulfonamide?
1-tert-butyl-N-methylazetidine-3-sulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-methylazetidine-3-sulfonamide is sourced from PubChem (CID 163600664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).