N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide

C15H26N6O2S — CID 119942368

IUPACN-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide
SMILESCN(C)CCNC(=O)Cn1cc(NC(=O)CC2CSCCN2)cn1
InChIInChI=1S/C15H26N6O2S/c1-20(2)5-3-17-15(23)10-21-9-13(8-18-21)19-14(22)7-12-11-24-6-4-16-12/h8-9,12,16H,3-7,10-11H2,1-2H3,(H,17,23)(H,19,22)
InChIKeyGYLGFQGAYQYEMO-UHFFFAOYSA-N
MW354.48 g/mol
LogP-0.41
Rot. Bonds8

About N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide

N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119942368) has the molecular formula C15H26N6O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide
PubChem CID119942368
Molecular FormulaC15H26N6O2S
Molecular Weight354.48 g/mol
Exact Mass354.18
IUPAC NameN-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide
SMILESCN(C)CCNC(=O)Cn1cc(NC(=O)CC2CSCCN2)cn1
InChIInChI=1S/C15H26N6O2S/c1-20(2)5-3-17-15(23)10-21-9-13(8-18-21)19-14(22)7-12-11-24-6-4-16-12/h8-9,12,16H,3-7,10-11H2,1-2H3,(H,17,23)(H,19,22)
InChIKeyGYLGFQGAYQYEMO-UHFFFAOYSA-N
XLogP-0.41
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119893042
N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119937384
N-[2-(N-methylanilino)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940895
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941065
N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66421642
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide
CID 120597193
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
N-(4-chlorophenyl)-4-[(2-thiomorpholin-3-ylacetyl)amino]butanamide
CID 119937332

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide (CID 119942368) is N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide is CN(C)CCNC(=O)Cn1cc(NC(=O)CC2CSCCN2)cn1.
What is the InChIKey of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is GYLGFQGAYQYEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2S/c1-20(2)5-3-17-15(23)10-21-9-13(8-18-21)19-14(22)7-12-11-24-6-4-16-12/h8-9,12,16H,3-7,10-11H2,1-2H3,(H,17,23)(H,19,22).
What are the key properties of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide?
N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 354.48 g/mol, XLogP of -0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119942368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).