6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide

C15H23N5O2S — CID 74238297

IUPAC6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide
SMILESCC1(C)SCC(C(=O)NCc2cc3n(n2)CCCNC3)NC1=O
InChIInChI=1S/C15H23N5O2S/c1-15(2)14(22)18-12(9-23-15)13(21)17-7-10-6-11-8-16-4-3-5-20(11)19-10/h6,12,16H,3-5,7-9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyZAUQXRVNUGJILE-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.00
Rot. Bonds3

About 6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide

6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide (PubChem CID 74238297) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide
PubChem CID74238297
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide
SMILESCC1(C)SCC(C(=O)NCc2cc3n(n2)CCCNC3)NC1=O
InChIInChI=1S/C15H23N5O2S/c1-15(2)14(22)18-12(9-23-15)13(21)17-7-10-6-11-8-16-4-3-5-20(11)19-10/h6,12,16H,3-5,7-9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyZAUQXRVNUGJILE-UHFFFAOYSA-N
XLogP0.00
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide with MolForge

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Related Compounds

6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide
CID 72843031
N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 70704686
1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3-(2-thiophen-2-ylethyl)urea
CID 70726013
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 118766364
2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide
CID 70706450
N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3-(5-thiophen-2-ylfuran-2-yl)propanamide;hydrochloride
CID 154896936
ethyl 3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoate
CID 112547177
6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide
CID 74245475
N,N-dimethyl-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 176890096
6,6-dimethyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]thiomorpholine-3-carboxamide
CID 131909667
2-(2-chlorophenoxy)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide;hydrochloride
CID 154895981
(3S)-N-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 125176530

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide?
The IUPAC name of 6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide (CID 74238297) is 6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for 6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for 6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide is CC1(C)SCC(C(=O)NCc2cc3n(n2)CCCNC3)NC1=O.
What is the InChIKey of 6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide?
The InChIKey is ZAUQXRVNUGJILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-15(2)14(22)18-12(9-23-15)13(21)17-7-10-6-11-8-16-4-3-5-20(11)19-10/h6,12,16H,3-5,7-9H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide?
6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 74238297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).