2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide

C15H17N3O3S — CID 99564778

IUPAC2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCCN1C(=O)c1ccc2[nH]c(=S)oc2c1
InChIInChI=1S/C15H17N3O3S/c16-13(19)8-10-3-1-2-6-18(10)14(20)9-4-5-11-12(7-9)21-15(22)17-11/h4-5,7,10H,1-3,6,8H2,(H2,16,19)(H,17,22)/t10-/m0/s1
InChIKeyMAVHTJKFINDRBD-JTQLQIEISA-N
MW319.39 g/mol
LogP2.36
Rot. Bonds3

About 2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide

2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide (PubChem CID 99564778) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide
PubChem CID99564778
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCCN1C(=O)c1ccc2[nH]c(=S)oc2c1
InChIInChI=1S/C15H17N3O3S/c16-13(19)8-10-3-1-2-6-18(10)14(20)9-4-5-11-12(7-9)21-15(22)17-11/h4-5,7,10H,1-3,6,8H2,(H2,16,19)(H,17,22)/t10-/m0/s1
InChIKeyMAVHTJKFINDRBD-JTQLQIEISA-N
XLogP2.36
TPSA92.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidine-2-carboxylate
CID 119033591
2-[(2R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]acetamide
CID 95293673
2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide
CID 28785398
tert-butyl 1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate
CID 102561604
[(4R)-4-propoxyazepan-1-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
CID 99813177
2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide
CID 94818861
2,2-dimethyl-N-[[(3S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-3-yl]methyl]propanamide
CID 99813188
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
CID 99631742
[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
CID 99708101
8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
CID 99696400
2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide
CID 95382927
(3S,6R)-N-butyl-6-methyl-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidine-3-carboxamide
CID 99811792

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide (CID 99564778) is 2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide is NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc2[nH]c(=S)oc2c1.
What is the InChIKey of 2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide?
The InChIKey is MAVHTJKFINDRBD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O3S/c16-13(19)8-10-3-1-2-6-18(10)14(20)9-4-5-11-12(7-9)21-15(22)17-11/h4-5,7,10H,1-3,6,8H2,(H2,16,19)(H,17,22)/t10-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide?
2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide has a molecular weight of 319.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidin-2-yl]acetamide is sourced from PubChem (CID 99564778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).