N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide

C16H21BrN2OS — CID 119937586

IUPACN-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C16H21BrN2OS/c17-13-4-1-3-12(9-13)16(5-2-6-16)19-15(20)10-14-11-21-8-7-18-14/h1,3-4,9,14,18H,2,5-8,10-11H2,(H,19,20)
InChIKeyAGFQTASUMGKWDU-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.04
Rot. Bonds4

About N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide

N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119937586) has the molecular formula C16H21BrN2OS and a molecular weight of 369.33 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119937586
Molecular FormulaC16H21BrN2OS
Molecular Weight369.33 g/mol
Exact Mass368.06
IUPAC NameN-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C16H21BrN2OS/c17-13-4-1-3-12(9-13)16(5-2-6-16)19-15(20)10-14-11-21-8-7-18-14/h1,3-4,9,14,18H,2,5-8,10-11H2,(H,19,20)
InChIKeyAGFQTASUMGKWDU-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide
CID 119935796
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
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
1-(3-bromophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586628
N-[1-(3-methylphenyl)cyclopentyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119770626
N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 146134018
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-(2-acetamido-5-bromophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938069
N-[2-[(3-bromophenyl)methyl]butyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939586
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119744834
N-(4-bromo-2-cyanophenyl)-2-thiomorpholin-3-ylacetamide
CID 82708529

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide (CID 119937586) is N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NC1(c2cccc(Br)c2)CCC1.
What is the InChIKey of N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is AGFQTASUMGKWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2OS/c17-13-4-1-3-12(9-13)16(5-2-6-16)19-15(20)10-14-11-21-8-7-18-14/h1,3-4,9,14,18H,2,5-8,10-11H2,(H,19,20).
What are the key properties of N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide?
N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 369.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).