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

C14H20BrClN2O2S — CID 119782391

IUPACN-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CNCCO1)Sc1ccc(Br)cc1.Cl
InChIInChI=1S/C14H19BrN2O2S.ClH/c1-10(20-12-4-2-11(15)3-5-12)8-17-14(18)13-9-16-6-7-19-13;/h2-5,10,13,16H,6-9H2,1H3,(H,17,18);1H
InChIKeyCCDCVLUFMOATBQ-UHFFFAOYSA-N
MW395.75 g/mol
LogP2.46
Rot. Bonds5

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

N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119782391) has the molecular formula C14H20BrClN2O2S and a molecular weight of 395.75 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119782391
Molecular FormulaC14H20BrClN2O2S
Molecular Weight395.75 g/mol
Exact Mass394.01
IUPAC NameN-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CNCCO1)Sc1ccc(Br)cc1.Cl
InChIInChI=1S/C14H19BrN2O2S.ClH/c1-10(20-12-4-2-11(15)3-5-12)8-17-14(18)13-9-16-6-7-19-13;/h2-5,10,13,16H,6-9H2,1H3,(H,17,18);1H
InChIKeyCCDCVLUFMOATBQ-UHFFFAOYSA-N
XLogP2.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.75
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide
CID 95240217
(2R,3S)-N-[2-(4-bromophenyl)sulfanylpropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932287
N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride
CID 119806742
N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119322845
(2R)-N-(2-aminopropyl)morpholine-2-carboxamide;hydrochloride
CID 130680040
N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119748246
N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119322831
2-[2-(4-bromophenyl)sulfanylpropylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184859
N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide
CID 119768768
N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide
CID 119757535
methyl 2-methyl-3-(morpholine-2-carbonylamino)propanoate;hydrochloride
CID 119768677
N-[2-(4-fluorophenoxy)propyl]morpholine-2-carboxamide
CID 119804499

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride (CID 119782391) is N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride is CC(CNC(=O)C1CNCCO1)Sc1ccc(Br)cc1.Cl.
What is the InChIKey of N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is CCDCVLUFMOATBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2S.ClH/c1-10(20-12-4-2-11(15)3-5-12)8-17-14(18)13-9-16-6-7-19-13;/h2-5,10,13,16H,6-9H2,1H3,(H,17,18);1H.
What are the key properties of N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride?
N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 395.75 g/mol, XLogP of 2.46, 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)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119782391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).