N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide

C14H24N2O3S2 — CID 103340653

IUPACN-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1ccc(CNCCC)s1
InChIInChI=1S/C14H24N2O3S2/c1-4-8-15-12-13-6-7-14(20-13)21(17,18)16(9-5-2)10-11-19-3/h5-7,15H,2,4,8-12H2,1,3H3
InChIKeyCGEZABCIJXVDMH-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.07
Rot. Bonds11

About N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide

N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 103340653) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID103340653
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC NameN-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1ccc(CNCCC)s1
InChIInChI=1S/C14H24N2O3S2/c1-4-8-15-12-13-6-7-14(20-13)21(17,18)16(9-5-2)10-11-19-3/h5-7,15H,2,4,8-12H2,1,3H3
InChIKeyCGEZABCIJXVDMH-UHFFFAOYSA-N
XLogP2.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[bis(2-methoxyethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55364957
2-[5-[ethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61384509
5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide
CID 103340666
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide
CID 103340514
N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055808
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide
CID 103340623
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106082756
5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide
CID 103340526
1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556235
N-[[5-(dipropylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30963365
3-[2-methoxyethyl(prop-2-enyl)sulfamoyl]-2-methylbenzoic acid
CID 103338546

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide (CID 103340653) is N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide is C=CCN(CCOC)S(=O)(=O)c1ccc(CNCCC)s1.
What is the InChIKey of N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is CGEZABCIJXVDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-4-8-15-12-13-6-7-14(20-13)21(17,18)16(9-5-2)10-11-19-3/h5-7,15H,2,4,8-12H2,1,3H3.
What are the key properties of N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide?
N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.07, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 103340653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).