(2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide

C11H17N3O2S2 — CID 99775105

IUPAC(2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide
SMILESCC[C@@H](NC(=O)[C@@H]1CSCCS1)c1noc(C)n1
InChIInChI=1S/C11H17N3O2S2/c1-3-8(10-12-7(2)16-14-10)13-11(15)9-6-17-4-5-18-9/h8-9H,3-6H2,1-2H3,(H,13,15)/t8-,9+/m1/s1
InChIKeyKLINQNRDZCFKAW-BDAKNGLRSA-N
MW287.41 g/mol
LogP1.79
Rot. Bonds4

About (2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide

(2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide (PubChem CID 99775105) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide
PubChem CID99775105
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name(2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide
SMILESCC[C@@H](NC(=O)[C@@H]1CSCCS1)c1noc(C)n1
InChIInChI=1S/C11H17N3O2S2/c1-3-8(10-12-7(2)16-14-10)13-11(15)9-6-17-4-5-18-9/h8-9H,3-6H2,1-2H3,(H,13,15)/t8-,9+/m1/s1
InChIKeyKLINQNRDZCFKAW-BDAKNGLRSA-N
XLogP1.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-pentan-2-yl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]acetamide
CID 45822823
N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798112
5-Thiomorpholin-3-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 82904776
3-Ethylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 116504502
N~2~-acetyl-N~1~-methyl-N~1~-{2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl}-L-methioninamide
CID 119064357
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thian-4-amine
CID 127974612
4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide
CID 146133207
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]tetrahydro-2H-thiopyran-4-amine
CID 56708045
2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide
CID 71859645
N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 74241970
N-[(1S)-1-{[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]carbonyl}-3-(methylthio)propyl]acetamide
CID 86285644
(3R)-3-[[[(2R)-2-amino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 90193597

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide (CID 99775105) is (2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide is CC[C@@H](NC(=O)[C@@H]1CSCCS1)c1noc(C)n1.
What is the InChIKey of (2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide?
The InChIKey is KLINQNRDZCFKAW-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-3-8(10-12-7(2)16-14-10)13-11(15)9-6-17-4-5-18-9/h8-9H,3-6H2,1-2H3,(H,13,15)/t8-,9+/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide?
(2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide is sourced from PubChem (CID 99775105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).