N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide

C15H18N4O3S2 — CID 26819578

IUPACN-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2csnn2)cc1
InChIInChI=1S/C15H18N4O3S2/c1-11-4-2-3-9-19(11)24(21,22)13-7-5-12(6-8-13)16-15(20)14-10-23-18-17-14/h5-8,10-11H,2-4,9H2,1H3,(H,16,20)/t11-/m1/s1
InChIKeyBPRRISKTWVWFHA-LLVKDONJSA-N
MW366.47 g/mol
LogP2.35
Rot. Bonds4

About N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide

N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide (PubChem CID 26819578) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide
PubChem CID26819578
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC NameN-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2csnn2)cc1
InChIInChI=1S/C15H18N4O3S2/c1-11-4-2-3-9-19(11)24(21,22)13-7-5-12(6-8-13)16-15(20)14-10-23-18-17-14/h5-8,10-11H,2-4,9H2,1H3,(H,16,20)/t11-/m1/s1
InChIKeyBPRRISKTWVWFHA-LLVKDONJSA-N
XLogP2.35
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 164997311
5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 42279430
5-(3,4-dimethylphenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 35043262
2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 19114634
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685
N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide
CID 9331872
4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide
CID 3267062
1-(2-methylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]urea
CID 27521233
1-(4-methylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27522605
3-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 2926058
N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9095769

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide (CID 26819578) is N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide is C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2csnn2)cc1.
What is the InChIKey of N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide?
The InChIKey is BPRRISKTWVWFHA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-11-4-2-3-9-19(11)24(21,22)13-7-5-12(6-8-13)16-15(20)14-10-23-18-17-14/h5-8,10-11H,2-4,9H2,1H3,(H,16,20)/t11-/m1/s1.
What are the key properties of N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide?
N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 26819578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).