N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride

C10H14BrClN2O2S — CID 119731563

IUPACN-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cc(Br)cs1)C1COCCN1
InChIInChI=1S/C10H13BrN2O2S.ClH/c11-7-3-8(16-6-7)4-13-10(14)9-5-15-2-1-12-9;/h3,6,9,12H,1-2,4-5H2,(H,13,14);1H
InChIKeyYKCLSIBBKYSGFI-UHFFFAOYSA-N
MW341.66 g/mol
LogP1.54
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride

N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119731563) has the molecular formula C10H14BrClN2O2S and a molecular weight of 341.66 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119731563
Molecular FormulaC10H14BrClN2O2S
Molecular Weight341.66 g/mol
Exact Mass339.96
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cc(Br)cs1)C1COCCN1
InChIInChI=1S/C10H13BrN2O2S.ClH/c11-7-3-8(16-6-7)4-13-10(14)9-5-15-2-1-12-9;/h3,6,9,12H,1-2,4-5H2,(H,13,14);1H
InChIKeyYKCLSIBBKYSGFI-UHFFFAOYSA-N
XLogP1.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.66
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide
CID 47250199
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CID 104702626
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 119771820
N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119786264
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CID 119958152
N-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride
CID 119737995
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119718110
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119738787
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119756162

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride (CID 119731563) is N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(NCc1cc(Br)cs1)C1COCCN1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is YKCLSIBBKYSGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S.ClH/c11-7-3-8(16-6-7)4-13-10(14)9-5-15-2-1-12-9;/h3,6,9,12H,1-2,4-5H2,(H,13,14);1H.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride?
N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 341.66 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119731563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).