N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide

C18H33N3OS — CID 119935290

IUPACN-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C18H33N3OS/c22-17(13-16-14-23-12-9-19-16)20-15-18(7-3-1-4-8-18)21-10-5-2-6-11-21/h16,19H,1-15H2,(H,20,22)
InChIKeyDQNKFDJDNPTBDL-UHFFFAOYSA-N
MW339.55 g/mol
LogP2.39
Rot. Bonds5

About N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide

N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119935290) has the molecular formula C18H33N3OS and a molecular weight of 339.55 g/mol. Its IUPAC name is N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119935290
Molecular FormulaC18H33N3OS
Molecular Weight339.55 g/mol
Exact Mass339.23
IUPAC NameN-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C18H33N3OS/c22-17(13-16-14-23-12-9-19-16)20-15-18(7-3-1-4-8-18)21-10-5-2-6-11-21/h16,19H,1-15H2,(H,20,22)
InChIKeyDQNKFDJDNPTBDL-UHFFFAOYSA-N
XLogP2.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422108
N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940566
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940106
N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114116108
N-[3-(azepan-1-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940727
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940507
1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid
CID 66422266
N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide
CID 66422291
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422109
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941680

Frequently Asked Questions

What is the IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide (CID 119935290) is N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is DQNKFDJDNPTBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3OS/c22-17(13-16-14-23-12-9-19-16)20-15-18(7-3-1-4-8-18)21-10-5-2-6-11-21/h16,19H,1-15H2,(H,20,22).
What are the key properties of N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 339.55 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119935290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).