N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride

C12H16Cl2N2O2S — CID 119772470

IUPACN-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
SMILESCSc1ccc(NC(=O)C2CNCCO2)cc1Cl.Cl
InChIInChI=1S/C12H15ClN2O2S.ClH/c1-18-11-3-2-8(6-9(11)13)15-12(16)10-7-14-4-5-17-10;/h2-3,6,10,14H,4-5,7H2,1H3,(H,15,16);1H
InChIKeyFSOUTCCEUFPGRD-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.41
Rot. Bonds3

About N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride

N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride (PubChem CID 119772470) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
PubChem CID119772470
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC NameN-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
SMILESCSc1ccc(NC(=O)C2CNCCO2)cc1Cl.Cl
InChIInChI=1S/C12H15ClN2O2S.ClH/c1-18-11-3-2-8(6-9(11)13)15-12(16)10-7-14-4-5-17-10;/h2-3,6,10,14H,4-5,7H2,1H3,(H,15,16);1H
InChIKeyFSOUTCCEUFPGRD-UHFFFAOYSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride
CID 119760659
N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119711589
N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674752
N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 119317112
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119867098
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
N-(4-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671690
N-(3,4-dihydro-2H-chromen-6-yl)morpholine-2-carboxamide;hydrochloride
CID 119767367
N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119742216
N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119702027

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride (CID 119772470) is N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride is CSc1ccc(NC(=O)C2CNCCO2)cc1Cl.Cl.
What is the InChIKey of N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is FSOUTCCEUFPGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S.ClH/c1-18-11-3-2-8(6-9(11)13)15-12(16)10-7-14-4-5-17-10;/h2-3,6,10,14H,4-5,7H2,1H3,(H,15,16);1H.
What are the key properties of N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride?
N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 323.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119772470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).