N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide

C16H22N2OS — CID 119935796

IUPACN-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C16H22N2OS/c19-15(11-14-12-20-10-9-17-14)18-16(7-4-8-16)13-5-2-1-3-6-13/h1-3,5-6,14,17H,4,7-12H2,(H,18,19)
InChIKeyYYWFVJYQAOVJJU-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.28
Rot. Bonds4

About N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide

N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119935796) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide
PubChem CID119935796
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C16H22N2OS/c19-15(11-14-12-20-10-9-17-14)18-16(7-4-8-16)13-5-2-1-3-6-13/h1-3,5-6,14,17H,4,7-12H2,(H,18,19)
InChIKeyYYWFVJYQAOVJJU-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide
CID 119937586
N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939693
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935808
1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid
CID 66422266
N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide
CID 66422291
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66422867
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320
N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
CID 119941694
N-[1-(4-chlorophenyl)cyclopentyl]-2-pyrrolidin-2-ylacetamide
CID 119766573
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935530
N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939490

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide (CID 119935796) is N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NC1(c2ccccc2)CCC1.
What is the InChIKey of N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is YYWFVJYQAOVJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-15(11-14-12-20-10-9-17-14)18-16(7-4-8-16)13-5-2-1-3-6-13/h1-3,5-6,14,17H,4,7-12H2,(H,18,19).
What are the key properties of N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide?
N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 290.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119935796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).