N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C14H29ClN2OS — CID 119939591

IUPACN-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(CCC(C)(C)C)NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C14H28N2OS.ClH/c1-11(5-6-14(2,3)4)16-13(17)9-12-10-18-8-7-15-12;/h11-12,15H,5-10H2,1-4H3,(H,16,17);1H
InChIKeySTVOPCBQZVSWSG-UHFFFAOYSA-N
MW308.92 g/mol
LogP2.83
Rot. Bonds5

About N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119939591) has the molecular formula C14H29ClN2OS and a molecular weight of 308.92 g/mol. Its IUPAC name is N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119939591
Molecular FormulaC14H29ClN2OS
Molecular Weight308.92 g/mol
Exact Mass308.17
IUPAC NameN-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(CCC(C)(C)C)NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C14H28N2OS.ClH/c1-11(5-6-14(2,3)4)16-13(17)9-12-10-18-8-7-15-12;/h11-12,15H,5-10H2,1-4H3,(H,16,17);1H
InChIKeySTVOPCBQZVSWSG-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.92
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-thiomorpholin-3-ylacetyl)amino]butanoate;hydrochloride
CID 119935716
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
(2R)-3,3-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 113353132
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 106349945
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66422411
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 114155796
4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 66420292
N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide
CID 66420236
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934993
N-[1-(2-fluorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119936755
N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119940274

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119939591) is N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is CC(CCC(C)(C)C)NC(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is STVOPCBQZVSWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS.ClH/c1-11(5-6-14(2,3)4)16-13(17)9-12-10-18-8-7-15-12;/h11-12,15H,5-10H2,1-4H3,(H,16,17);1H.
What are the key properties of N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 308.92 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119939591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).