N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide

C14H19N3O2S — CID 71936534

IUPACN-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C1NCCCN1CC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H19N3O2S/c18-13(9-16-6-1-5-15-14(16)19)17(12-2-3-12)8-11-4-7-20-10-11/h4,7,10,12H,1-3,5-6,8-9H2,(H,15,19)
InChIKeyBBXLAPNYDZAUBA-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.65
Rot. Bonds5

About N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide

N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 71936534) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID71936534
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C1NCCCN1CC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H19N3O2S/c18-13(9-16-6-1-5-15-14(16)19)17(12-2-3-12)8-11-4-7-20-10-11/h4,7,10,12H,1-3,5-6,8-9H2,(H,15,19)
InChIKeyBBXLAPNYDZAUBA-UHFFFAOYSA-N
XLogP1.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-oxo-N-(thiophen-3-ylmethyl)imidazolidine-1-carboxamide
CID 72717905
N-cyclopropyl-2-(2,5-dioxopyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 47500513
1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324066
1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one
CID 115371154
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
methyl 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 84584110
2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 60598427
N-cyclopropyl-3-piperidin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 62210423
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 95788460
N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 63006718
3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42707007

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide (CID 71936534) is N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide is O=C1NCCCN1CC(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is BBXLAPNYDZAUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-13(9-16-6-1-5-15-14(16)19)17(12-2-3-12)8-11-4-7-20-10-11/h4,7,10,12H,1-3,5-6,8-9H2,(H,15,19).
What are the key properties of N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide?
N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 293.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 71936534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).