5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide

C12H17N3O2S2 — CID 106267926

IUPAC5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
SMILESCN1CCCC(CNS(=O)(=O)c2ccc(C#N)s2)C1
InChIInChI=1S/C12H17N3O2S2/c1-15-6-2-3-10(9-15)8-14-19(16,17)12-5-4-11(7-13)18-12/h4-5,10,14H,2-3,6,8-9H2,1H3
InChIKeyPPBOPKVYYXYJCR-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.24
Rot. Bonds4

About 5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide

5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106267926) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID106267926
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
SMILESCN1CCCC(CNS(=O)(=O)c2ccc(C#N)s2)C1
InChIInChI=1S/C12H17N3O2S2/c1-15-6-2-3-10(9-15)8-14-19(16,17)12-5-4-11(7-13)18-12/h4-5,10,14H,2-3,6,8-9H2,1H3
InChIKeyPPBOPKVYYXYJCR-UHFFFAOYSA-N
XLogP1.24
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-(cyclopentylmethyl)thiophene-2-sulfonamide
CID 106267298
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
5-cyano-N-[(2-hydroxycyclopentyl)methyl]thiophene-2-sulfonamide
CID 106268476
5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide
CID 106269784
5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 114166495
5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 60857110
5-(4-ethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166176
5-cyano-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
CID 106268836
6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62156782
2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide
CID 106050570
5-amino-N-[(1-methylpiperidin-3-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80731331
2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 62159127

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide (CID 106267926) is 5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide is CN1CCCC(CNS(=O)(=O)c2ccc(C#N)s2)C1.
What is the InChIKey of 5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is PPBOPKVYYXYJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-15-6-2-3-10(9-15)8-14-19(16,17)12-5-4-11(7-13)18-12/h4-5,10,14H,2-3,6,8-9H2,1H3.
What are the key properties of 5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide?
5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106267926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).