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

C13H24N2O2S — CID 66422108

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCC1(O)CCCCC1
InChIInChI=1S/C13H24N2O2S/c16-12(8-11-9-18-7-6-14-11)15-10-13(17)4-2-1-3-5-13/h11,14,17H,1-10H2,(H,15,16)
InChIKeyQDOLOKPBVRYTCQ-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.89
Rot. Bonds4

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

N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66422108) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66422108
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCC1(O)CCCCC1
InChIInChI=1S/C13H24N2O2S/c16-12(8-11-9-18-7-6-14-11)15-10-13(17)4-2-1-3-5-13/h11,14,17H,1-10H2,(H,15,16)
InChIKeyQDOLOKPBVRYTCQ-UHFFFAOYSA-N
XLogP0.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422109
N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940566
N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119935290
N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114116108
N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940106
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-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide (CID 66422108) is N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is QDOLOKPBVRYTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c16-12(8-11-9-18-7-6-14-11)15-10-13(17)4-2-1-3-5-13/h11,14,17H,1-10H2,(H,15,16).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 272.41 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).