2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide

C14H24N2O3S — CID 128731265

IUPAC2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide
SMILESCS(=O)C1(CNC(=O)N2CCOC(C3CCC3)C2)CC1
InChIInChI=1S/C14H24N2O3S/c1-20(18)14(5-6-14)10-15-13(17)16-7-8-19-12(9-16)11-3-2-4-11/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyQZOXQBZZPRPCIK-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.11
Rot. Bonds4

About 2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide

2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide (PubChem CID 128731265) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide
PubChem CID128731265
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide
SMILESCS(=O)C1(CNC(=O)N2CCOC(C3CCC3)C2)CC1
InChIInChI=1S/C14H24N2O3S/c1-20(18)14(5-6-14)10-15-13(17)16-7-8-19-12(9-16)11-3-2-4-11/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyQZOXQBZZPRPCIK-UHFFFAOYSA-N
XLogP1.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 122020818
(3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 125140514
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 124887441
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 124887439
4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 125140570
1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311291
1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311332
(2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 124513990
(4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
CID 124573175
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 106100320
N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboxamide
CID 79159286
(2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide
CID 97068623

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide?
The IUPAC name of 2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide (CID 128731265) is 2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide is CS(=O)C1(CNC(=O)N2CCOC(C3CCC3)C2)CC1.
What is the InChIKey of 2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide?
The InChIKey is QZOXQBZZPRPCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-20(18)14(5-6-14)10-15-13(17)16-7-8-19-12(9-16)11-3-2-4-11/h11-12H,2-10H2,1H3,(H,15,17).
What are the key properties of 2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide?
2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide has a molecular weight of 300.42 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 128731265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).