N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride

C15H25ClN2OS2 — CID 119937832

IUPACN-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1ccc(CN(C(=O)CC2CSCCN2)C(C)C)s1.Cl
InChIInChI=1S/C15H24N2OS2.ClH/c1-11(2)17(9-14-5-4-12(3)20-14)15(18)8-13-10-19-7-6-16-13;/h4-5,11,13,16H,6-10H2,1-3H3;1H
InChIKeyQQKHOVPWSJQPHQ-UHFFFAOYSA-N
MW348.97 g/mol
LogP3.31
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119937832) has the molecular formula C15H25ClN2OS2 and a molecular weight of 348.97 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119937832
Molecular FormulaC15H25ClN2OS2
Molecular Weight348.97 g/mol
Exact Mass348.11
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1ccc(CN(C(=O)CC2CSCCN2)C(C)C)s1.Cl
InChIInChI=1S/C15H24N2OS2.ClH/c1-11(2)17(9-14-5-4-12(3)20-14)15(18)8-13-10-19-7-6-16-13;/h4-5,11,13,16H,6-10H2,1-3H3;1H
InChIKeyQQKHOVPWSJQPHQ-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.97
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide
CID 119937394
N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421266
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422444
N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
CID 119304582
1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586505
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935635
N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66420866
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421451
N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939158
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119937832) is N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride is Cc1ccc(CN(C(=O)CC2CSCCN2)C(C)C)s1.Cl.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is QQKHOVPWSJQPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS2.ClH/c1-11(2)17(9-14-5-4-12(3)20-14)15(18)8-13-10-19-7-6-16-13;/h4-5,11,13,16H,6-10H2,1-3H3;1H.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 348.97 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119937832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).