4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide

C11H20N2O2S2 — CID 99852831

IUPAC4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide
SMILESCNC[C@H](C)CNS(=O)(=O)c1cc(C)c(C)s1
InChIInChI=1S/C11H20N2O2S2/c1-8(6-12-4)7-13-17(14,15)11-5-9(2)10(3)16-11/h5,8,12-13H,6-7H2,1-4H3/t8-/m0/s1
InChIKeyJBSQKGXLLRLAIP-QMMMGPOBSA-N
MW276.43 g/mol
LogP1.50
Rot. Bonds6

About 4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide

4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide (PubChem CID 99852831) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide
PubChem CID99852831
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide
SMILESCNC[C@H](C)CNS(=O)(=O)c1cc(C)c(C)s1
InChIInChI=1S/C11H20N2O2S2/c1-8(6-12-4)7-13-17(14,15)11-5-9(2)10(3)16-11/h5,8,12-13H,6-7H2,1-4H3/t8-/m0/s1
InChIKeyJBSQKGXLLRLAIP-QMMMGPOBSA-N
XLogP1.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide?
The IUPAC name of 4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide (CID 99852831) is 4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide is CNC[C@H](C)CNS(=O)(=O)c1cc(C)c(C)s1.
What is the InChIKey of 4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide?
The InChIKey is JBSQKGXLLRLAIP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-8(6-12-4)7-13-17(14,15)11-5-9(2)10(3)16-11/h5,8,12-13H,6-7H2,1-4H3/t8-/m0/s1.
What are the key properties of 4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide?
4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide has a molecular weight of 276.43 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 99852831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).