N-(2,2-dimethylthietan-3-yl)methanesulfonamide

C6H13NO2S2 — CID 126994647

IUPACN-(2,2-dimethylthietan-3-yl)methanesulfonamide
SMILESCC1(C)SCC1NS(C)(=O)=O
InChIInChI=1S/C6H13NO2S2/c1-6(2)5(4-10-6)7-11(3,8)9/h5,7H,4H2,1-3H3
InChIKeyMZKPVVGTQSQIAZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.43
Rot. Bonds2

About N-(2,2-dimethylthietan-3-yl)methanesulfonamide

N-(2,2-dimethylthietan-3-yl)methanesulfonamide (PubChem CID 126994647) has the molecular formula C6H13NO2S2 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2,2-dimethylthietan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylthietan-3-yl)methanesulfonamide
PubChem CID126994647
Molecular FormulaC6H13NO2S2
Molecular Weight195.31 g/mol
Exact Mass195.04
IUPAC NameN-(2,2-dimethylthietan-3-yl)methanesulfonamide
SMILESCC1(C)SCC1NS(C)(=O)=O
InChIInChI=1S/C6H13NO2S2/c1-6(2)5(4-10-6)7-11(3,8)9/h5,7H,4H2,1-3H3
InChIKeyMZKPVVGTQSQIAZ-UHFFFAOYSA-N
XLogP0.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylthietan-3-yl)methanesulfonamide?
The IUPAC name of N-(2,2-dimethylthietan-3-yl)methanesulfonamide (CID 126994647) is N-(2,2-dimethylthietan-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2,2-dimethylthietan-3-yl)methanesulfonamide?
The canonical SMILES for N-(2,2-dimethylthietan-3-yl)methanesulfonamide is CC1(C)SCC1NS(C)(=O)=O.
What is the InChIKey of N-(2,2-dimethylthietan-3-yl)methanesulfonamide?
The InChIKey is MZKPVVGTQSQIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S2/c1-6(2)5(4-10-6)7-11(3,8)9/h5,7H,4H2,1-3H3.
What are the key properties of N-(2,2-dimethylthietan-3-yl)methanesulfonamide?
N-(2,2-dimethylthietan-3-yl)methanesulfonamide has a molecular weight of 195.31 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylthietan-3-yl)methanesulfonamide is sourced from PubChem (CID 126994647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).