N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide

C8H18N2O2S — CID 66186773

IUPACN-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NC1CNC1
InChIInChI=1S/C8H18N2O2S/c1-8(2,3)6-13(11,12)10-7-4-9-5-7/h7,9-10H,4-6H2,1-3H3
InChIKeyKDCMXSJXDWTQRO-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.08
Rot. Bonds3

About N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide

N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 66186773) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide
PubChem CID66186773
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NC1CNC1
InChIInChI=1S/C8H18N2O2S/c1-8(2,3)6-13(11,12)10-7-4-9-5-7/h7,9-10H,4-6H2,1-3H3
InChIKeyKDCMXSJXDWTQRO-UHFFFAOYSA-N
XLogP-0.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide (CID 66186773) is N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide is CC(C)(C)CS(=O)(=O)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is KDCMXSJXDWTQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8(2,3)6-13(11,12)10-7-4-9-5-7/h7,9-10H,4-6H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide?
N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 206.31 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 66186773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).