3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide

C12H16N2O4S2 — CID 25391714

IUPAC3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H16N2O4S2/c1-2-4-13-12(15)11-10(3-9-19-11)20(16,17)14-5-7-18-8-6-14/h2-3,9H,1,4-8H2,(H,13,15)
InChIKeyZGMVPCKOGYWMLH-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.68
Rot. Bonds5

About 3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide

3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 25391714) has the molecular formula C12H16N2O4S2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
PubChem CID25391714
Molecular FormulaC12H16N2O4S2
Molecular Weight316.40 g/mol
Exact Mass316.06
IUPAC Name3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H16N2O4S2/c1-2-4-13-12(15)11-10(3-9-19-11)20(16,17)14-5-7-18-8-6-14/h2-3,9H,1,4-8H2,(H,13,15)
InChIKeyZGMVPCKOGYWMLH-UHFFFAOYSA-N
XLogP0.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid
CID 119249833
N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 38075450
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 120945933
3-morpholin-4-ylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 22108462
3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
CID 119221163
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55510466
3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55749896
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 119455908
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55610163

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide (CID 25391714) is 3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is ZGMVPCKOGYWMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S2/c1-2-4-13-12(15)11-10(3-9-19-11)20(16,17)14-5-7-18-8-6-14/h2-3,9H,1,4-8H2,(H,13,15).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide?
3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 25391714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).