N-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide

C3H11NO3S2 — CID 20716950

IUPACN-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide
SMILESCS(C)(O)NS(C)(=O)=O
InChIInChI=1S/C3H11NO3S2/c1-8(2,5)4-9(3,6)7/h4-5H,1-3H3
InChIKeyCVESWBVAZFQHID-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.01
Rot. Bonds2

About N-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide

N-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide (PubChem CID 20716950) has the molecular formula C3H11NO3S2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide.

Molecular Properties

Compound NameN-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide
PubChem CID20716950
Molecular FormulaC3H11NO3S2
Molecular Weight173.26 g/mol
Exact Mass173.02
IUPAC NameN-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide
SMILESCS(C)(O)NS(C)(=O)=O
InChIInChI=1S/C3H11NO3S2/c1-8(2,5)4-9(3,6)7/h4-5H,1-3H3
InChIKeyCVESWBVAZFQHID-UHFFFAOYSA-N
XLogP-0.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide?
The IUPAC name of N-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide (CID 20716950) is N-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide.
What is the SMILES notation for N-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide?
The canonical SMILES for N-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide is CS(C)(O)NS(C)(=O)=O.
What is the InChIKey of N-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide?
The InChIKey is CVESWBVAZFQHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NO3S2/c1-8(2,5)4-9(3,6)7/h4-5H,1-3H3.
What are the key properties of N-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide?
N-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide has a molecular weight of 173.26 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy(dimethyl)-λ4-sulfanyl]methanesulfonamide is sourced from PubChem (CID 20716950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).