N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide

C14H26N2OS — CID 114100026

IUPACN-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
SMILESCC1CCCC(NC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H26N2OS/c1-11-3-2-4-12(6-5-11)16-14(17)9-13-10-18-8-7-15-13/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyGVRYWQKIRNTVNZ-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.17
Rot. Bonds3

About N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide

N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 114100026) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
PubChem CID114100026
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
SMILESCC1CCCC(NC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H26N2OS/c1-11-3-2-4-12(6-5-11)16-14(17)9-13-10-18-8-7-15-13/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyGVRYWQKIRNTVNZ-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66420098
N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 66420914
N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119941128
N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935112
N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide
CID 119938410
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 66422198
N-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 82728569
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119936782
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941513
N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide
CID 82905560

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide (CID 114100026) is N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide is CC1CCCC(NC(=O)CC2CSCCN2)CC1.
What is the InChIKey of N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is GVRYWQKIRNTVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-11-3-2-4-12(6-5-11)16-14(17)9-13-10-18-8-7-15-13/h11-13,15H,2-10H2,1H3,(H,16,17).
What are the key properties of N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide?
N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 270.44 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 114100026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).