N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide

C12H23N3O2S — CID 66423008

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(C)(C)NC(=O)CNC(=O)CC1CSCCN1
InChIInChI=1S/C12H23N3O2S/c1-12(2,3)15-11(17)7-14-10(16)6-9-8-18-5-4-13-9/h9,13H,4-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyOWGZGZDDAZZRDP-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.11
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66423008) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66423008
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(C)(C)NC(=O)CNC(=O)CC1CSCCN1
InChIInChI=1S/C12H23N3O2S/c1-12(2,3)15-11(17)7-14-10(16)6-9-8-18-5-4-13-9/h9,13H,4-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyOWGZGZDDAZZRDP-UHFFFAOYSA-N
XLogP0.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
2-hydroxy-2-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoic acid
CID 66420533
N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 114155796
N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 114167326
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
3-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 66420329
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-thiomorpholin-3-ylacetamide
CID 114163723
N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421416
2-ethyl-2-[[(2-thiomorpholin-3-ylacetyl)amino]methyl]butanoic acid
CID 115430291
N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide
CID 106176913

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide (CID 66423008) is N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide is CC(C)(C)NC(=O)CNC(=O)CC1CSCCN1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is OWGZGZDDAZZRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-12(2,3)15-11(17)7-14-10(16)6-9-8-18-5-4-13-9/h9,13H,4-8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 273.40 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66423008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).