(3S,4R)-3-methyloxane-4-sulfonamide

C6H13NO3S — CID 97177290

IUPAC(3S,4R)-3-methyloxane-4-sulfonamide
SMILESC[C@H]1COCC[C@H]1S(N)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-5-4-10-3-2-6(5)11(7,8)9/h5-6H,2-4H2,1H3,(H2,7,8,9)/t5-,6+/m0/s1
InChIKeyDDRAKEUZWHEQEX-NTSWFWBYSA-N
MW179.24 g/mol
LogP-0.30
Rot. Bonds1

About (3S,4R)-3-methyloxane-4-sulfonamide

(3S,4R)-3-methyloxane-4-sulfonamide (PubChem CID 97177290) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is (3S,4R)-3-methyloxane-4-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-3-methyloxane-4-sulfonamide
PubChem CID97177290
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name(3S,4R)-3-methyloxane-4-sulfonamide
SMILESC[C@H]1COCC[C@H]1S(N)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-5-4-10-3-2-6(5)11(7,8)9/h5-6H,2-4H2,1H3,(H2,7,8,9)/t5-,6+/m0/s1
InChIKeyDDRAKEUZWHEQEX-NTSWFWBYSA-N
XLogP-0.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-methyloxane-4-sulfonyl chloride
CID 98084898
(3S,4R)-N,3-dimethyloxane-4-sulfonamide
CID 97167965
(3S,4R)-N,N,3-trimethyloxane-4-sulfonamide
CID 97177278
(3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide
CID 97177286
2-methylcyclohexane-1-sulfonamide
CID 21267710
(3R,4R)-3-prop-2-enyloxane-4-sulfonamide
CID 130367724
3-(2-methyloxolan-3-yl)sulfonyloxan-4-amine
CID 107758120
(3S,4R)-4-methoxyoxolane-3-sulfonamide
CID 132992802
(3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide
CID 97169032
N,4-dimethyloxolane-3-sulfonamide
CID 165442955
9,10-dimethyl-1,4,7-trioxacycloundecane
CID 20818181
3-methyl-1-(3-methyloxan-4-yl)but-3-en-1-one
CID 130491993

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methyloxane-4-sulfonamide?
The IUPAC name of (3S,4R)-3-methyloxane-4-sulfonamide (CID 97177290) is (3S,4R)-3-methyloxane-4-sulfonamide.
What is the SMILES notation for (3S,4R)-3-methyloxane-4-sulfonamide?
The canonical SMILES for (3S,4R)-3-methyloxane-4-sulfonamide is C[C@H]1COCC[C@H]1S(N)(=O)=O.
What is the InChIKey of (3S,4R)-3-methyloxane-4-sulfonamide?
The InChIKey is DDRAKEUZWHEQEX-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-5-4-10-3-2-6(5)11(7,8)9/h5-6H,2-4H2,1H3,(H2,7,8,9)/t5-,6+/m0/s1.
What are the key properties of (3S,4R)-3-methyloxane-4-sulfonamide?
(3S,4R)-3-methyloxane-4-sulfonamide has a molecular weight of 179.24 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methyloxane-4-sulfonamide is sourced from PubChem (CID 97177290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).