N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H23ClN2OS — CID 119935471

IUPACN-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC1CCc2ccccc2C1
InChIInChI=1S/C16H22N2OS.ClH/c19-16(10-15-11-20-8-7-17-15)18-14-6-5-12-3-1-2-4-13(12)9-14;/h1-4,14-15,17H,5-11H2,(H,18,19);1H
InChIKeySYCHTBWFOCSNLC-UHFFFAOYSA-N
MW326.89 g/mol
LogP2.18
Rot. Bonds3

About N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935471) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935471
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC1CCc2ccccc2C1
InChIInChI=1S/C16H22N2OS.ClH/c19-16(10-15-11-20-8-7-17-15)18-14-6-5-12-3-1-2-4-13(12)9-14;/h1-4,14-15,17H,5-11H2,(H,18,19);1H
InChIKeySYCHTBWFOCSNLC-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 62306443
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide
CID 107222130
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942182
N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119935763
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935385
N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939490
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776
2-morpholin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119688095
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940149
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119270483

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935471) is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)NC1CCc2ccccc2C1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is SYCHTBWFOCSNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS.ClH/c19-16(10-15-11-20-8-7-17-15)18-14-6-5-12-3-1-2-4-13(12)9-14;/h1-4,14-15,17H,5-11H2,(H,18,19);1H.
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 326.89 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).