(3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C16H19N3O4S2 — CID 40894077

IUPAC(3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1onc2c1CCC2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C16H19N3O4S2/c20-15(17-16-12-5-1-6-13(12)18-23-16)11-4-2-8-19(10-11)25(21,22)14-7-3-9-24-14/h3,7,9,11H,1-2,4-6,8,10H2,(H,17,20)/t11-/m1/s1
InChIKeyNDNPCFJFJOEGNT-LLVKDONJSA-N
MW381.48 g/mol
LogP2.26
Rot. Bonds4

About (3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 40894077) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID40894077
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name(3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1onc2c1CCC2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C16H19N3O4S2/c20-15(17-16-12-5-1-6-13(12)18-23-16)11-4-2-8-19(10-11)25(21,22)14-7-3-9-24-14/h3,7,9,11H,1-2,4-6,8,10H2,(H,17,20)/t11-/m1/s1
InChIKeyNDNPCFJFJOEGNT-LLVKDONJSA-N
XLogP2.26
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16942588
(3R)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51929683
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18102027
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
(3S)-N-(4-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9076312
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 132669499

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 40894077) is (3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1onc2c1CCC2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of (3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is NDNPCFJFJOEGNT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c20-15(17-16-12-5-1-6-13(12)18-23-16)11-4-2-8-19(10-11)25(21,22)14-7-3-9-24-14/h3,7,9,11H,1-2,4-6,8,10H2,(H,17,20)/t11-/m1/s1.
What are the key properties of (3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 40894077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).