N-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C14H21N3O4S — CID 47910461

IUPACN-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2noc3c2CCCC3)C1
InChIInChI=1S/C14H21N3O4S/c1-22(19,20)17-8-4-5-10(9-17)15-14(18)13-11-6-2-3-7-12(11)21-16-13/h10H,2-9H2,1H3,(H,15,18)
InChIKeyMTIIODPILUSDPG-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.71
Rot. Bonds3

About N-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 47910461) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID47910461
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2noc3c2CCCC3)C1
InChIInChI=1S/C14H21N3O4S/c1-22(19,20)17-8-4-5-10(9-17)15-14(18)13-11-6-2-3-7-12(11)21-16-13/h10H,2-9H2,1H3,(H,15,18)
InChIKeyMTIIODPILUSDPG-UHFFFAOYSA-N
XLogP0.71
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3245435
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124892973
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 118792795
N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
CID 47403736
2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910133
6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 49081677
N-(1-methylsulfonylpiperidin-3-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 47908934
5-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119182612
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 47910272

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 47910461) is N-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CS(=O)(=O)N1CCCC(NC(=O)c2noc3c2CCCC3)C1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is MTIIODPILUSDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-22(19,20)17-8-4-5-10(9-17)15-14(18)13-11-6-2-3-7-12(11)21-16-13/h10H,2-9H2,1H3,(H,15,18).
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 47910461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).