N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide

C17H26N2OS — CID 119939505

IUPACN-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
SMILESCC(C)(CNC(=O)CC1CSCCN1)Cc1ccccc1
InChIInChI=1S/C17H26N2OS/c1-17(2,11-14-6-4-3-5-7-14)13-19-16(20)10-15-12-21-9-8-18-15/h3-7,15,18H,8-13H2,1-2H3,(H,19,20)
InChIKeyLKNAPRAIKLFGRZ-UHFFFAOYSA-N
MW306.47 g/mol
LogP2.47
Rot. Bonds6

About N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide

N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119939505) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
PubChem CID119939505
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
SMILESCC(C)(CNC(=O)CC1CSCCN1)Cc1ccccc1
InChIInChI=1S/C17H26N2OS/c1-17(2,11-14-6-4-3-5-7-14)13-19-16(20)10-15-12-21-9-8-18-15/h3-7,15,18H,8-13H2,1-2H3,(H,19,20)
InChIKeyLKNAPRAIKLFGRZ-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936632
N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
CID 119941694
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119942283
4-[2-[(2-thiomorpholin-3-ylacetyl)amino]ethyl]benzoic acid
CID 66422869
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320
N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 119938213
N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119936943
N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937369

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide (CID 119939505) is N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide is CC(C)(CNC(=O)CC1CSCCN1)Cc1ccccc1.
What is the InChIKey of N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is LKNAPRAIKLFGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-17(2,11-14-6-4-3-5-7-14)13-19-16(20)10-15-12-21-9-8-18-15/h3-7,15,18H,8-13H2,1-2H3,(H,19,20).
What are the key properties of N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide?
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 306.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119939505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).