(2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide

C16H30N2O3S — CID 124829923

IUPAC(2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide
SMILESCC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@](C)(CC)C2)C1
InChIInChI=1S/C16H30N2O3S/c1-4-16(3)12-18(9-10-21-16)15(19)17-13-7-6-8-14(11-13)22(20)5-2/h13-14H,4-12H2,1-3H3,(H,17,19)/t13-,14+,16+,22-/m0/s1
InChIKeyUWBSBKBKLJHVPU-QRYYHVKRSA-N
MW330.49 g/mol
LogP2.28
Rot. Bonds4

About (2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide

(2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide (PubChem CID 124829923) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide
PubChem CID124829923
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Name(2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide
SMILESCC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@](C)(CC)C2)C1
InChIInChI=1S/C16H30N2O3S/c1-4-16(3)12-18(9-10-21-16)15(19)17-13-7-6-8-14(11-13)22(20)5-2/h13-14H,4-12H2,1-3H3,(H,17,19)/t13-,14+,16+,22-/m0/s1
InChIKeyUWBSBKBKLJHVPU-QRYYHVKRSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 100658333
N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97234169
(2S)-2-ethyl-2-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine-4-carboxamide
CID 99824847
N-ethyl-2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]acetamide
CID 109437985
(2S)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 99825232
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea
CID 111841041
N-ethyl-2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 109437984
(2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 99824844
(2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide
CID 129399538
1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109439505
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]urea
CID 96512971
(2S)-2-ethyl-2-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]morpholine-4-carboxamide
CID 99857632

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide (CID 124829923) is (2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide is CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@](C)(CC)C2)C1.
What is the InChIKey of (2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide?
The InChIKey is UWBSBKBKLJHVPU-QRYYHVKRSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-4-16(3)12-18(9-10-21-16)15(19)17-13-7-6-8-14(11-13)22(20)5-2/h13-14H,4-12H2,1-3H3,(H,17,19)/t13-,14+,16+,22-/m0/s1.
What are the key properties of (2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide?
(2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide has a molecular weight of 330.49 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 124829923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).