N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide

C15H22N2O2S2 — CID 110792001

IUPACN-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(CCNS(=O)(=O)c2cccs2)c(C)n1C(C)C
InChIInChI=1S/C15H22N2O2S2/c1-11(2)17-12(3)10-14(13(17)4)7-8-16-21(18,19)15-6-5-9-20-15/h5-6,9-11,16H,7-8H2,1-4H3
InChIKeyPWQMGJJJMXNYGS-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.27
Rot. Bonds6

About N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide

N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110792001) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110792001
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC NameN-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(CCNS(=O)(=O)c2cccs2)c(C)n1C(C)C
InChIInChI=1S/C15H22N2O2S2/c1-11(2)17-12(3)10-14(13(17)4)7-8-16-21(18,19)15-6-5-9-20-15/h5-6,9-11,16H,7-8H2,1-4H3
InChIKeyPWQMGJJJMXNYGS-UHFFFAOYSA-N
XLogP3.27
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 110789678
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316
N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 110789033
N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518
N-pentylthiophene-2-sulfonamide
CID 5150701
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110666587
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-dodecylthiophene-2-sulfonamide
CID 19681497
dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium
CID 7765655
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207435
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide (CID 110792001) is N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide is Cc1cc(CCNS(=O)(=O)c2cccs2)c(C)n1C(C)C.
What is the InChIKey of N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is PWQMGJJJMXNYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-11(2)17-12(3)10-14(13(17)4)7-8-16-21(18,19)15-6-5-9-20-15/h5-6,9-11,16H,7-8H2,1-4H3.
What are the key properties of N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 326.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110792001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).