2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid

C14H20N2O6S2 — CID 119249833

IUPAC2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid
SMILESCC(C)(CNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C14H20N2O6S2/c1-14(2,13(18)19)9-15-12(17)11-10(3-8-23-11)24(20,21)16-4-6-22-7-5-16/h3,8H,4-7,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNYQONSJTJLJAIV-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.61
Rot. Bonds6

About 2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid

2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid (PubChem CID 119249833) has the molecular formula C14H20N2O6S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid
PubChem CID119249833
Molecular FormulaC14H20N2O6S2
Molecular Weight376.46 g/mol
Exact Mass376.08
IUPAC Name2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid
SMILESCC(C)(CNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C14H20N2O6S2/c1-14(2,13(18)19)9-15-12(17)11-10(3-8-23-11)24(20,21)16-4-6-22-7-5-16/h3,8H,4-7,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNYQONSJTJLJAIV-UHFFFAOYSA-N
XLogP0.61
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
CID 25391714
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119250337
3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
CID 119221163
N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 38075450
3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249234
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 120945933
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55510466
3-morpholin-4-ylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 22108462
3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55456444
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55749896

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid (CID 119249833) is 2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid is CC(C)(CNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is NYQONSJTJLJAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S2/c1-14(2,13(18)19)9-15-12(17)11-10(3-8-23-11)24(20,21)16-4-6-22-7-5-16/h3,8H,4-7,9H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid?
2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 376.46 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119249833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).