(3S,4R)-N,3-dimethyloxane-4-sulfonamide

C7H15NO3S — CID 97167965

IUPAC(3S,4R)-N,3-dimethyloxane-4-sulfonamide
SMILESCNS(=O)(=O)[C@@H]1CCOC[C@@H]1C
InChIInChI=1S/C7H15NO3S/c1-6-5-11-4-3-7(6)12(9,10)8-2/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyMBYQSQIVRXHRBH-NKWVEPMBSA-N
MW193.27 g/mol
LogP-0.04
Rot. Bonds2

About (3S,4R)-N,3-dimethyloxane-4-sulfonamide

(3S,4R)-N,3-dimethyloxane-4-sulfonamide (PubChem CID 97167965) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (3S,4R)-N,3-dimethyloxane-4-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-N,3-dimethyloxane-4-sulfonamide
PubChem CID97167965
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(3S,4R)-N,3-dimethyloxane-4-sulfonamide
SMILESCNS(=O)(=O)[C@@H]1CCOC[C@@H]1C
InChIInChI=1S/C7H15NO3S/c1-6-5-11-4-3-7(6)12(9,10)8-2/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyMBYQSQIVRXHRBH-NKWVEPMBSA-N
XLogP-0.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyloxolane-3-sulfonamide
CID 165442955
(3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide
CID 97177286
(3S,4S)-3-methyloxane-4-sulfonyl chloride
CID 98084898
(3S,4R)-3-methyloxane-4-sulfonamide
CID 97177290
(3S,4R)-N,N,3-trimethyloxane-4-sulfonamide
CID 97177278
N-methyloxane-3-sulfonamide
CID 69039393
3-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 71648171
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168004
N-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide
CID 167927926
(3S,4R)-N-methyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide
CID 97168021
3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 71648184
(3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168008

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N,3-dimethyloxane-4-sulfonamide?
The IUPAC name of (3S,4R)-N,3-dimethyloxane-4-sulfonamide (CID 97167965) is (3S,4R)-N,3-dimethyloxane-4-sulfonamide.
What is the SMILES notation for (3S,4R)-N,3-dimethyloxane-4-sulfonamide?
The canonical SMILES for (3S,4R)-N,3-dimethyloxane-4-sulfonamide is CNS(=O)(=O)[C@@H]1CCOC[C@@H]1C.
What is the InChIKey of (3S,4R)-N,3-dimethyloxane-4-sulfonamide?
The InChIKey is MBYQSQIVRXHRBH-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-6-5-11-4-3-7(6)12(9,10)8-2/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (3S,4R)-N,3-dimethyloxane-4-sulfonamide?
(3S,4R)-N,3-dimethyloxane-4-sulfonamide has a molecular weight of 193.27 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N,3-dimethyloxane-4-sulfonamide is sourced from PubChem (CID 97167965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).