2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide

C15H22N2O3S — CID 75389185

IUPAC2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide
SMILESCc1ccc(C2CN(C(=O)NC3CCCSC3)CCO2)o1
InChIInChI=1S/C15H22N2O3S/c1-11-4-5-13(20-11)14-9-17(6-7-19-14)15(18)16-12-3-2-8-21-10-12/h4-5,12,14H,2-3,6-10H2,1H3,(H,16,18)
InChIKeyUBEIAMMYVADCLR-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.57
Rot. Bonds2

About 2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide

2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide (PubChem CID 75389185) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide
PubChem CID75389185
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide
SMILESCc1ccc(C2CN(C(=O)NC3CCCSC3)CCO2)o1
InChIInChI=1S/C15H22N2O3S/c1-11-4-5-13(20-11)14-9-17(6-7-19-14)15(18)16-12-3-2-8-21-10-12/h4-5,12,14H,2-3,6-10H2,1H3,(H,16,18)
InChIKeyUBEIAMMYVADCLR-UHFFFAOYSA-N
XLogP2.57
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1R,2R)-2-methoxycyclohexyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 98874217
N-cyclopentyl-2-(4-methylphenyl)morpholine-4-carboxamide
CID 121134941
N-(thian-3-yl)morpholine-4-carboxamide
CID 115675063
(2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 97242801
2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090
N-cyclohexyl-2-(4-ethylphenyl)morpholine-4-carboxamide
CID 110364020
(2R)-N-(2-methoxy-3-pyridinyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 124603422
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 109398792
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 75432430
N-[2-(dimethylamino)-6-methyl-3-pyridinyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 75389140
N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 75389166
(2S)-2-(5-methylfuran-2-yl)-N-[(3-nitrophenyl)methyl]morpholine-4-carboxamide
CID 97071301

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide (CID 75389185) is 2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide is Cc1ccc(C2CN(C(=O)NC3CCCSC3)CCO2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide?
The InChIKey is UBEIAMMYVADCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-4-5-13(20-11)14-9-17(6-7-19-14)15(18)16-12-3-2-8-21-10-12/h4-5,12,14H,2-3,6-10H2,1H3,(H,16,18).
What are the key properties of 2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide?
2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide is sourced from PubChem (CID 75389185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).