N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide

C9H14N4O3S2 — CID 47403736

IUPACN-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2csnn2)C1
InChIInChI=1S/C9H14N4O3S2/c1-18(15,16)13-4-2-3-7(5-13)10-9(14)8-6-17-12-11-8/h6-7H,2-5H2,1H3,(H,10,14)
InChIKeyHADANGJTGZMPTK-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.31
Rot. Bonds3

About N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide

N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide (PubChem CID 47403736) has the molecular formula C9H14N4O3S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
PubChem CID47403736
Molecular FormulaC9H14N4O3S2
Molecular Weight290.37 g/mol
Exact Mass290.05
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2csnn2)C1
InChIInChI=1S/C9H14N4O3S2/c1-18(15,16)13-4-2-3-7(5-13)10-9(14)8-6-17-12-11-8/h6-7H,2-5H2,1H3,(H,10,14)
InChIKeyHADANGJTGZMPTK-UHFFFAOYSA-N
XLogP-0.31
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
N-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47910268
5-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119182612
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide
CID 47909931
2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910133
N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 146124574
2-[2-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119182608
1-(1-methylsulfonylpiperidin-3-yl)-3-(4-methylthiophen-3-yl)urea
CID 136516934
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide
CID 146086459
N-[4-[(1-methylsulfonylpiperidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 47909584

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide (CID 47403736) is N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide is CS(=O)(=O)N1CCCC(NC(=O)c2csnn2)C1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide?
The InChIKey is HADANGJTGZMPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S2/c1-18(15,16)13-4-2-3-7(5-13)10-9(14)8-6-17-12-11-8/h6-7H,2-5H2,1H3,(H,10,14).
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide?
N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide is sourced from PubChem (CID 47403736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).