N-tert-butylazetidine-3-sulfonamide

C7H16N2O2S — CID 130208647

IUPACN-tert-butylazetidine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CNC1
InChIInChI=1S/C7H16N2O2S/c1-7(2,3)9-12(10,11)6-4-8-5-6/h6,8-9H,4-5H2,1-3H3
InChIKeyLDUDFULQLNGKIA-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.32
Rot. Bonds2

About N-tert-butylazetidine-3-sulfonamide

N-tert-butylazetidine-3-sulfonamide (PubChem CID 130208647) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-tert-butylazetidine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butylazetidine-3-sulfonamide
PubChem CID130208647
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-tert-butylazetidine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CNC1
InChIInChI=1S/C7H16N2O2S/c1-7(2,3)9-12(10,11)6-4-8-5-6/h6,8-9H,4-5H2,1-3H3
InChIKeyLDUDFULQLNGKIA-UHFFFAOYSA-N
XLogP-0.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylazetidine-3-sulfonamide?
The IUPAC name of N-tert-butylazetidine-3-sulfonamide (CID 130208647) is N-tert-butylazetidine-3-sulfonamide.
What is the SMILES notation for N-tert-butylazetidine-3-sulfonamide?
The canonical SMILES for N-tert-butylazetidine-3-sulfonamide is CC(C)(C)NS(=O)(=O)C1CNC1.
What is the InChIKey of N-tert-butylazetidine-3-sulfonamide?
The InChIKey is LDUDFULQLNGKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7(2,3)9-12(10,11)6-4-8-5-6/h6,8-9H,4-5H2,1-3H3.
What are the key properties of N-tert-butylazetidine-3-sulfonamide?
N-tert-butylazetidine-3-sulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylazetidine-3-sulfonamide is sourced from PubChem (CID 130208647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).