N-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide

C10H22N2O2S — CID 129035135

IUPACN-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CN(C(C)(C)C)C1
InChIInChI=1S/C10H22N2O2S/c1-8(2)15(13,14)11-9-6-12(7-9)10(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyQBFBVGVDCFJIMA-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.80
Rot. Bonds3

About N-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide

N-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide (PubChem CID 129035135) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide
PubChem CID129035135
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CN(C(C)(C)C)C1
InChIInChI=1S/C10H22N2O2S/c1-8(2)15(13,14)11-9-6-12(7-9)10(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyQBFBVGVDCFJIMA-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide?
The IUPAC name of N-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide (CID 129035135) is N-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CN(C(C)(C)C)C1.
What is the InChIKey of N-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide?
The InChIKey is QBFBVGVDCFJIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-8(2)15(13,14)11-9-6-12(7-9)10(3,4)5/h8-9,11H,6-7H2,1-5H3.
What are the key properties of N-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide?
N-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 129035135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).