N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C15H27ClN2OS — CID 119934993

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CSCCN1)C1CC2CCC1C2.Cl
InChIInChI=1S/C15H26N2OS.ClH/c1-10(14-7-11-2-3-12(14)6-11)17-15(18)8-13-9-19-5-4-16-13;/h10-14,16H,2-9H2,1H3,(H,17,18);1H
InChIKeyRJWQDMJRSDFRFC-UHFFFAOYSA-N
MW318.91 g/mol
LogP2.44
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119934993) has the molecular formula C15H27ClN2OS and a molecular weight of 318.91 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119934993
Molecular FormulaC15H27ClN2OS
Molecular Weight318.91 g/mol
Exact Mass318.15
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CSCCN1)C1CC2CCC1C2.Cl
InChIInChI=1S/C15H26N2OS.ClH/c1-10(14-7-11-2-3-12(14)6-11)17-15(18)8-13-9-19-5-4-16-13;/h10-14,16H,2-9H2,1H3,(H,17,18);1H
InChIKeyRJWQDMJRSDFRFC-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.91
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939591
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114
methyl 3-[(2-thiomorpholin-3-ylacetyl)amino]butanoate;hydrochloride
CID 119935716
4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride
CID 120558701
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54924868
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[3-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-oxopropyl]sulfanylpropanamide
CID 100726421
(2R)-3,3-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 113353132
N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66422411
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119913411
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 129429061

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119934993) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CC(NC(=O)CC1CSCCN1)C1CC2CCC1C2.Cl.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is RJWQDMJRSDFRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS.ClH/c1-10(14-7-11-2-3-12(14)6-11)17-15(18)8-13-9-19-5-4-16-13;/h10-14,16H,2-9H2,1H3,(H,17,18);1H.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 318.91 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119934993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).