4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide

C14H24N2O3S2 — CID 97108825

IUPAC4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@@H](C)N2CCOC[C@@H]2C)sc1C
InChIInChI=1S/C14H24N2O3S2/c1-10-7-14(20-13(10)4)21(17,18)15-8-11(2)16-5-6-19-9-12(16)3/h7,11-12,15H,5-6,8-9H2,1-4H3/t11-,12+/m1/s1
InChIKeyBOANZTBFNYCUFY-NEPJUHHUSA-N
MW332.49 g/mol
LogP1.75
Rot. Bonds5

About 4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide

4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide (PubChem CID 97108825) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide
PubChem CID97108825
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@@H](C)N2CCOC[C@@H]2C)sc1C
InChIInChI=1S/C14H24N2O3S2/c1-10-7-14(20-13(10)4)21(17,18)15-8-11(2)16-5-6-19-9-12(16)3/h7,11-12,15H,5-6,8-9H2,1-4H3/t11-,12+/m1/s1
InChIKeyBOANZTBFNYCUFY-NEPJUHHUSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide?
The IUPAC name of 4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide (CID 97108825) is 4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCOC[C@@H]2C)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide?
The InChIKey is BOANZTBFNYCUFY-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-10-7-14(20-13(10)4)21(17,18)15-8-11(2)16-5-6-19-9-12(16)3/h7,11-12,15H,5-6,8-9H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of 4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide?
4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 97108825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).