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

C8H17NO3S — CID 97177278

IUPAC(3S,4R)-N,N,3-trimethyloxane-4-sulfonamide
SMILESC[C@H]1COCC[C@H]1S(=O)(=O)N(C)C
InChIInChI=1S/C8H17NO3S/c1-7-6-12-5-4-8(7)13(10,11)9(2)3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyUDHNFYVFJWJNIA-JGVFFNPUSA-N
MW207.29 g/mol
LogP0.30
Rot. Bonds2

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

(3S,4R)-N,N,3-trimethyloxane-4-sulfonamide (PubChem CID 97177278) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (3S,4R)-N,N,3-trimethyloxane-4-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-N,N,3-trimethyloxane-4-sulfonamide
PubChem CID97177278
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(3S,4R)-N,N,3-trimethyloxane-4-sulfonamide
SMILESC[C@H]1COCC[C@H]1S(=O)(=O)N(C)C
InChIInChI=1S/C8H17NO3S/c1-7-6-12-5-4-8(7)13(10,11)9(2)3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyUDHNFYVFJWJNIA-JGVFFNPUSA-N
XLogP0.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-methyloxane-4-sulfonyl chloride
CID 98084898
(3S,4R)-3-methyloxane-4-sulfonamide
CID 97177290
(3S,4R)-N,3-dimethyloxane-4-sulfonamide
CID 97167965
(3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide
CID 97177286
(3S,4S)-3-[(4-chlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 97166760
3-[(4-cyanophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 71646874
(3S,4S)-3-[(2,5-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 97166740
(3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 97166777
3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 71646877
3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 71646880
N-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide
CID 130173978
N,4-dimethyloxolane-3-sulfonamide
CID 165442955

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N,N,3-trimethyloxane-4-sulfonamide?
The IUPAC name of (3S,4R)-N,N,3-trimethyloxane-4-sulfonamide (CID 97177278) is (3S,4R)-N,N,3-trimethyloxane-4-sulfonamide.
What is the SMILES notation for (3S,4R)-N,N,3-trimethyloxane-4-sulfonamide?
The canonical SMILES for (3S,4R)-N,N,3-trimethyloxane-4-sulfonamide is C[C@H]1COCC[C@H]1S(=O)(=O)N(C)C.
What is the InChIKey of (3S,4R)-N,N,3-trimethyloxane-4-sulfonamide?
The InChIKey is UDHNFYVFJWJNIA-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7-6-12-5-4-8(7)13(10,11)9(2)3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-N,N,3-trimethyloxane-4-sulfonamide?
(3S,4R)-N,N,3-trimethyloxane-4-sulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N,N,3-trimethyloxane-4-sulfonamide is sourced from PubChem (CID 97177278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).