(3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide

C14H21NO4S — CID 97168008

IUPAC(3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide
SMILESCNS(=O)(=O)[C@@H]1CCOC[C@H]1Cc1ccc(OC)cc1
InChIInChI=1S/C14H21NO4S/c1-15-20(16,17)14-7-8-19-10-12(14)9-11-3-5-13(18-2)6-4-11/h3-6,12,14-15H,7-10H2,1-2H3/t12-,14-/m1/s1
InChIKeyZGVIUDCYCYVNOZ-TZMCWYRMSA-N
MW299.39 g/mol
LogP1.19
Rot. Bonds5

About (3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide

(3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide (PubChem CID 97168008) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is (3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide.

Molecular Properties

Compound Name(3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide
PubChem CID97168008
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name(3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide
SMILESCNS(=O)(=O)[C@@H]1CCOC[C@H]1Cc1ccc(OC)cc1
InChIInChI=1S/C14H21NO4S/c1-15-20(16,17)14-7-8-19-10-12(14)9-11-3-5-13(18-2)6-4-11/h3-6,12,14-15H,7-10H2,1-2H3/t12-,14-/m1/s1
InChIKeyZGVIUDCYCYVNOZ-TZMCWYRMSA-N
XLogP1.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168004
3-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 71648171
(3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97167993
3-[(4-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 71648106
(3R,4S)-3-[(3-chlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168013
(3S,4R)-N-methyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide
CID 97168021
(3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide
CID 97177651
N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine
CID 71648283
3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 71648184
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
CID 97166603
(3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
CID 97166602
(3S,4S)-3-[(4-cyanophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175159

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide?
The IUPAC name of (3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide (CID 97168008) is (3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide.
What is the SMILES notation for (3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide?
The canonical SMILES for (3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide is CNS(=O)(=O)[C@@H]1CCOC[C@H]1Cc1ccc(OC)cc1.
What is the InChIKey of (3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide?
The InChIKey is ZGVIUDCYCYVNOZ-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-15-20(16,17)14-7-8-19-10-12(14)9-11-3-5-13(18-2)6-4-11/h3-6,12,14-15H,7-10H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of (3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide?
(3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide is sourced from PubChem (CID 97168008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).