N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide

C12H24N2O2S2 — CID 71216117

IUPACN-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide
SMILESCN[C@H](CN(C)S(=O)(=O)C1=CCCS1)C(C)(C)C
InChIInChI=1S/C12H24N2O2S2/c1-12(2,3)10(13-4)9-14(5)18(15,16)11-7-6-8-17-11/h7,10,13H,6,8-9H2,1-5H3/t10-/m1/s1
InChIKeyZBKBZFKDSXVOPK-SNVBAGLBSA-N
MW292.47 g/mol
LogP1.86
Rot. Bonds5

About N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide

N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide (PubChem CID 71216117) has the molecular formula C12H24N2O2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide
PubChem CID71216117
Molecular FormulaC12H24N2O2S2
Molecular Weight292.47 g/mol
Exact Mass292.13
IUPAC NameN-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide
SMILESCN[C@H](CN(C)S(=O)(=O)C1=CCCS1)C(C)(C)C
InChIInChI=1S/C12H24N2O2S2/c1-12(2,3)10(13-4)9-14(5)18(15,16)11-7-6-8-17-11/h7,10,13H,6,8-9H2,1-5H3/t10-/m1/s1
InChIKeyZBKBZFKDSXVOPK-SNVBAGLBSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide (CID 71216117) is N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide is CN[C@H](CN(C)S(=O)(=O)C1=CCCS1)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide?
The InChIKey is ZBKBZFKDSXVOPK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O2S2/c1-12(2,3)10(13-4)9-14(5)18(15,16)11-7-6-8-17-11/h7,10,13H,6,8-9H2,1-5H3/t10-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide?
N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide has a molecular weight of 292.47 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methyl-2,3-dihydrothiophene-5-sulfonamide is sourced from PubChem (CID 71216117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).