N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H29ClN2OS — CID 119937131

IUPACN-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC1CCC(N(C(=O)CC2CSCCN2)C2CC2)CC1.Cl
InChIInChI=1S/C16H28N2OS.ClH/c1-12-2-4-14(5-3-12)18(15-6-7-15)16(19)10-13-11-20-9-8-17-13;/h12-15,17H,2-11H2,1H3;1H
InChIKeyNUJJHKYHKOWKRK-UHFFFAOYSA-N
MW332.94 g/mol
LogP3.07
Rot. Bonds4

About N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119937131) has the molecular formula C16H29ClN2OS and a molecular weight of 332.94 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119937131
Molecular FormulaC16H29ClN2OS
Molecular Weight332.94 g/mol
Exact Mass332.17
IUPAC NameN-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC1CCC(N(C(=O)CC2CSCCN2)C2CC2)CC1.Cl
InChIInChI=1S/C16H28N2OS.ClH/c1-12-2-4-14(5-3-12)18(15-6-7-15)16(19)10-13-11-20-9-8-17-13;/h12-15,17H,2-11H2,1H3;1H
InChIKeyNUJJHKYHKOWKRK-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.94
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935780
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935274
N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide
CID 119936952
N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422211
N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
CID 114100026
1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119938341
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935635
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935607
N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide
CID 119938410
N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide
CID 119937530

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119937131) is N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is CC1CCC(N(C(=O)CC2CSCCN2)C2CC2)CC1.Cl.
What is the InChIKey of N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is NUJJHKYHKOWKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS.ClH/c1-12-2-4-14(5-3-12)18(15-6-7-15)16(19)10-13-11-20-9-8-17-13;/h12-15,17H,2-11H2,1H3;1H.
What are the key properties of N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 332.94 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119937131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).