N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride

C9H19ClN2O2S — CID 119706942

IUPACN-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride
SMILESCSCCCNC(=O)C1CNCCO1.Cl
InChIInChI=1S/C9H18N2O2S.ClH/c1-14-6-2-3-11-9(12)8-7-10-4-5-13-8;/h8,10H,2-7H2,1H3,(H,11,12);1H
InChIKeyJIKDXIAQFHHHSX-UHFFFAOYSA-N
MW254.78 g/mol
LogP0.27
Rot. Bonds5

About N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride

N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride (PubChem CID 119706942) has the molecular formula C9H19ClN2O2S and a molecular weight of 254.78 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride
PubChem CID119706942
Molecular FormulaC9H19ClN2O2S
Molecular Weight254.78 g/mol
Exact Mass254.09
IUPAC NameN-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride
SMILESCSCCCNC(=O)C1CNCCO1.Cl
InChIInChI=1S/C9H18N2O2S.ClH/c1-14-6-2-3-11-9(12)8-7-10-4-5-13-8;/h8,10H,2-7H2,1H3,(H,11,12);1H
InChIKeyJIKDXIAQFHHHSX-UHFFFAOYSA-N
XLogP0.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-octylmorpholine-2-carboxamide
CID 115567943
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]morpholine-2-carboxamide;hydrochloride
CID 155971486
N-[2-(cyclopropanecarbonylamino)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119687765
N-(3-cyclohexylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119724280
N-(3-cyclopentylpropyl)morpholine-2-carboxamide
CID 113266264
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride
CID 119858903
N-(5-piperidin-1-ylpentyl)morpholine-2-carboxamide;dihydrochloride
CID 119885469
N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119280390
(2R)-N-(azetidin-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 130702713
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide
CID 119858904
(2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide
CID 125177439
2-(morpholine-2-carbonylamino)ethyl carbamate
CID 83210560

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride (CID 119706942) is N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride is CSCCCNC(=O)C1CNCCO1.Cl.
What is the InChIKey of N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is JIKDXIAQFHHHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S.ClH/c1-14-6-2-3-11-9(12)8-7-10-4-5-13-8;/h8,10H,2-7H2,1H3,(H,11,12);1H.
What are the key properties of N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride?
N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 254.78 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119706942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).