N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide

C16H22N2O2S — CID 119939214

IUPACN-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(OCC2CC2)cc1
InChIInChI=1S/C16H22N2O2S/c19-16(9-14-11-21-8-7-17-14)18-13-3-5-15(6-4-13)20-10-12-1-2-12/h3-6,12,14,17H,1-2,7-11H2,(H,18,19)
InChIKeySCDBDOVUTAFICW-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.51
Rot. Bonds6

About N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide

N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119939214) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119939214
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(OCC2CC2)cc1
InChIInChI=1S/C16H22N2O2S/c19-16(9-14-11-21-8-7-17-14)18-13-3-5-15(6-4-13)20-10-12-1-2-12/h3-6,12,14,17H,1-2,7-11H2,(H,18,19)
InChIKeySCDBDOVUTAFICW-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936367
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
CID 119936369
N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939633
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
N-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939664
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935987
N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939630
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799
N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938973

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119939214) is N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1ccc(OCC2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is SCDBDOVUTAFICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-16(9-14-11-21-8-7-17-14)18-13-3-5-15(6-4-13)20-10-12-1-2-12/h3-6,12,14,17H,1-2,7-11H2,(H,18,19).
What are the key properties of N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 306.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119939214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).