N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride

C15H22BrClN2O2S — CID 119806742

IUPACN-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CNCCO1)Sc1ccc(Br)cc1.Cl
InChIInChI=1S/C15H21BrN2O2S.ClH/c1-15(2,21-12-5-3-11(16)4-6-12)10-18-14(19)13-9-17-7-8-20-13;/h3-6,13,17H,7-10H2,1-2H3,(H,18,19);1H
InChIKeyLWQYCZXEOFQMHT-UHFFFAOYSA-N
MW409.78 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride

N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119806742) has the molecular formula C15H22BrClN2O2S and a molecular weight of 409.78 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119806742
Molecular FormulaC15H22BrClN2O2S
Molecular Weight409.78 g/mol
Exact Mass408.03
IUPAC NameN-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CNCCO1)Sc1ccc(Br)cc1.Cl
InChIInChI=1S/C15H21BrN2O2S.ClH/c1-15(2,21-12-5-3-11(16)4-6-12)10-18-14(19)13-9-17-7-8-20-13;/h3-6,13,17H,7-10H2,1-2H3,(H,18,19);1H
InChIKeyLWQYCZXEOFQMHT-UHFFFAOYSA-N
XLogP2.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.78
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride
CID 119782391
N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide
CID 119757535
N-(2-methyl-2-thiophen-2-ylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119787672
N-(4-hydroxy-2,2-dimethylbutyl)morpholine-2-carboxamide
CID 106147940
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]morpholine-2-carboxamide;hydrochloride
CID 119778685
N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119753692
N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119748246
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
(3R)-N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]-5-oxothiomorpholine-3-carboxamide
CID 166340129
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride
CID 119850057
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide
CID 119760050
N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119809493

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride (CID 119806742) is N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride is CC(C)(CNC(=O)C1CNCCO1)Sc1ccc(Br)cc1.Cl.
What is the InChIKey of N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is LWQYCZXEOFQMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2S.ClH/c1-15(2,21-12-5-3-11(16)4-6-12)10-18-14(19)13-9-17-7-8-20-13;/h3-6,13,17H,7-10H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride?
N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 409.78 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119806742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).