N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide

C12H23N3O2S — CID 114167326

IUPACN,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNC(=O)CC1CSCCN1
InChIInChI=1S/C12H23N3O2S/c1-12(2,11(17)13-3)8-15-10(16)6-9-7-18-5-4-14-9/h9,14H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyRMYKEAWCHHTZFH-UHFFFAOYSA-N
MW273.40 g/mol
LogP-0.03
Rot. Bonds5

About N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide

N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide (PubChem CID 114167326) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
PubChem CID114167326
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNC(=O)CC1CSCCN1
InChIInChI=1S/C12H23N3O2S/c1-12(2,11(17)13-3)8-15-10(16)6-9-7-18-5-4-14-9/h9,14H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyRMYKEAWCHHTZFH-UHFFFAOYSA-N
XLogP-0.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 5-0.03
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-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
CID 66423008
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-thiomorpholin-3-ylacetamide
CID 114163723
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
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 114155796
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
N,2,2-trimethyl-3-[(2-piperidin-4-ylacetyl)amino]propanamide
CID 106277030

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide (CID 114167326) is N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide is CNC(=O)C(C)(C)CNC(=O)CC1CSCCN1.
What is the InChIKey of N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
The InChIKey is RMYKEAWCHHTZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-12(2,11(17)13-3)8-15-10(16)6-9-7-18-5-4-14-9/h9,14H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide has a molecular weight of 273.40 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide is sourced from PubChem (CID 114167326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).