5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide

C12H16N2O2S2 — CID 106269709

IUPAC5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide
SMILESCC(C)C1(CNS(=O)(=O)c2ccc(C#N)s2)CC1
InChIInChI=1S/C12H16N2O2S2/c1-9(2)12(5-6-12)8-14-18(15,16)11-4-3-10(7-13)17-11/h3-4,9,14H,5-6,8H2,1-2H3
InChIKeyCNWZIMQDGONFSQ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.33
Rot. Bonds5

About 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide

5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide (PubChem CID 106269709) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide
PubChem CID106269709
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide
SMILESCC(C)C1(CNS(=O)(=O)c2ccc(C#N)s2)CC1
InChIInChI=1S/C12H16N2O2S2/c1-9(2)12(5-6-12)8-14-18(15,16)11-4-3-10(7-13)17-11/h3-4,9,14H,5-6,8H2,1-2H3
InChIKeyCNWZIMQDGONFSQ-UHFFFAOYSA-N
XLogP2.33
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide
CID 106268653
5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide
CID 106269750
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
CID 106265542
5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
CID 106267955
5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 114166495
4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 106833466
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
CID 106265760
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
CID 106266730
5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 106268602
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide (CID 106269709) is 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide is CC(C)C1(CNS(=O)(=O)c2ccc(C#N)s2)CC1.
What is the InChIKey of 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide?
The InChIKey is CNWZIMQDGONFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-9(2)12(5-6-12)8-14-18(15,16)11-4-3-10(7-13)17-11/h3-4,9,14H,5-6,8H2,1-2H3.
What are the key properties of 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide?
5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide has a molecular weight of 284.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106269709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).