5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide

C12H16N2O2S3 — CID 124595092

IUPAC5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@H](CC)c2nccs2)s1
InChIInChI=1S/C12H16N2O2S3/c1-3-9-5-6-11(18-9)19(15,16)14-10(4-2)12-13-7-8-17-12/h5-8,10,14H,3-4H2,1-2H3/t10-/m1/s1
InChIKeyUBVHFMCYQOKHKV-SNVBAGLBSA-N
MW316.47 g/mol
LogP3.20
Rot. Bonds6

About 5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide

5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide (PubChem CID 124595092) has the molecular formula C12H16N2O2S3 and a molecular weight of 316.47 g/mol. Its IUPAC name is 5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
PubChem CID124595092
Molecular FormulaC12H16N2O2S3
Molecular Weight316.47 g/mol
Exact Mass316.04
IUPAC Name5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@H](CC)c2nccs2)s1
InChIInChI=1S/C12H16N2O2S3/c1-3-9-5-6-11(18-9)19(15,16)14-10(4-2)12-13-7-8-17-12/h5-8,10,14H,3-4H2,1-2H3/t10-/m1/s1
InChIKeyUBVHFMCYQOKHKV-SNVBAGLBSA-N
XLogP3.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 79941148
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
N-[1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
CID 122564380
5-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)thiophene-2-sulfonamide
CID 122569645
4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 82843811
4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 102562347
2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 81435158
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993
3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide
CID 79585893
4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79180058
5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 106053416

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide (CID 124595092) is 5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N[C@H](CC)c2nccs2)s1.
What is the InChIKey of 5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is UBVHFMCYQOKHKV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O2S3/c1-3-9-5-6-11(18-9)19(15,16)14-10(4-2)12-13-7-8-17-12/h5-8,10,14H,3-4H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide?
5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 124595092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).