3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide

C10H17NO4S3 — CID 97352553

IUPAC3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)N(C)[C@H](C)C[S@](C)=O
InChIInChI=1S/C10H17NO4S3/c1-8(7-17(4)12)11(2)18(13,14)10-9(15-3)5-6-16-10/h5-6,8H,7H2,1-4H3/t8-,17+/m1/s1
InChIKeyCERHMIYQSORXLI-RBHXEPJQSA-N
MW311.45 g/mol
LogP1.14
Rot. Bonds6

About 3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide

3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide (PubChem CID 97352553) has the molecular formula C10H17NO4S3 and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide
PubChem CID97352553
Molecular FormulaC10H17NO4S3
Molecular Weight311.45 g/mol
Exact Mass311.03
IUPAC Name3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)N(C)[C@H](C)C[S@](C)=O
InChIInChI=1S/C10H17NO4S3/c1-8(7-17(4)12)11(2)18(13,14)10-9(15-3)5-6-16-10/h5-6,8H,7H2,1-4H3/t8-,17+/m1/s1
InChIKeyCERHMIYQSORXLI-RBHXEPJQSA-N
XLogP1.14
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide (CID 97352553) is 3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide is COc1ccsc1S(=O)(=O)N(C)[C@H](C)C[S@](C)=O.
What is the InChIKey of 3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide?
The InChIKey is CERHMIYQSORXLI-RBHXEPJQSA-N. The full InChI is InChI=1S/C10H17NO4S3/c1-8(7-17(4)12)11(2)18(13,14)10-9(15-3)5-6-16-10/h5-6,8H,7H2,1-4H3/t8-,17+/m1/s1.
What are the key properties of 3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide?
3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 97352553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).