N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide

C12H20N4O2S — CID 56895496

IUPACN-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide
SMILESCc1[nH]cnc1CSCCNC(=O)C1CNCCO1
InChIInChI=1S/C12H20N4O2S/c1-9-10(16-8-15-9)7-19-5-3-14-12(17)11-6-13-2-4-18-11/h8,11,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyVOJCGOICAGATNY-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.06
Rot. Bonds6

About N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide

N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide (PubChem CID 56895496) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide
PubChem CID56895496
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide
SMILESCc1[nH]cnc1CSCCNC(=O)C1CNCCO1
InChIInChI=1S/C12H20N4O2S/c1-9-10(16-8-15-9)7-19-5-3-14-12(17)11-6-13-2-4-18-11/h8,11,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyVOJCGOICAGATNY-UHFFFAOYSA-N
XLogP0.06
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-2-methyliminoacetic acid;hydrobromide
CID 70513585
N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97137518
N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119706942
(3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide
CID 97120250
N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 154894688
(2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide
CID 92632288
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]morpholine-2-carboxamide
CID 106416037
N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119780659
1-hydrazinyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitroethenamine
CID 70509690
N'-(4-hydroxyphenyl)-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]oxamide
CID 45492093
1-N-ethyl-1-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine
CID 70542461
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]morpholine-2-carboxamide;hydrochloride
CID 155971486

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide (CID 56895496) is N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide is Cc1[nH]cnc1CSCCNC(=O)C1CNCCO1.
What is the InChIKey of N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide?
The InChIKey is VOJCGOICAGATNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9-10(16-8-15-9)7-19-5-3-14-12(17)11-6-13-2-4-18-11/h8,11,13H,2-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide?
N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 56895496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).