(3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide

C13H26N2O2S — CID 95969405

IUPAC(3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide
SMILESCCSCC[C@H](C)NC(=O)N1CCOC[C@H]1CC
InChIInChI=1S/C13H26N2O2S/c1-4-12-10-17-8-7-15(12)13(16)14-11(3)6-9-18-5-2/h11-12H,4-10H2,1-3H3,(H,14,16)/t11-,12+/m0/s1
InChIKeyFDEOKTYQGCVOSR-NWDGAFQWSA-N
MW274.43 g/mol
LogP2.34
Rot. Bonds6

About (3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide

(3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide (PubChem CID 95969405) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is (3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide
PubChem CID95969405
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name(3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide
SMILESCCSCC[C@H](C)NC(=O)N1CCOC[C@H]1CC
InChIInChI=1S/C13H26N2O2S/c1-4-12-10-17-8-7-15(12)13(16)14-11(3)6-9-18-5-2/h11-12H,4-10H2,1-3H3,(H,14,16)/t11-,12+/m0/s1
InChIKeyFDEOKTYQGCVOSR-NWDGAFQWSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide
CID 71859678
N-(3-methylsulfanylpropyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 172438522
1-(2-Methoxyethyl)-3-methyl-3-[4-(methylsulfanyl)butan-2-yl]urea
CID 72007971
1-[(3-Morpholin-4-ylthiolan-3-yl)methyl]-3-propan-2-ylurea
CID 45825697
2,3-dimethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]thiomorpholine-4-carboxamide
CID 72009748
(2S,3R)-2,3-dimethyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]thiomorpholine-4-carboxamide
CID 97563270
(2S,3S)-2,3-dimethyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]thiomorpholine-4-carboxamide
CID 97563271
(2R,3R)-2,3-dimethyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]thiomorpholine-4-carboxamide
CID 97563272
(2R,3S)-2,3-dimethyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]thiomorpholine-4-carboxamide
CID 97563273
(2R,3S)-2,3-dimethyl-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]thiomorpholine-4-carboxamide
CID 99104366
(2S,3S)-2,3-dimethyl-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]thiomorpholine-4-carboxamide
CID 99104367
(2S,3R)-2,3-dimethyl-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]thiomorpholine-4-carboxamide
CID 129422252

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide (CID 95969405) is (3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide is CCSCC[C@H](C)NC(=O)N1CCOC[C@H]1CC.
What is the InChIKey of (3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide?
The InChIKey is FDEOKTYQGCVOSR-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-4-12-10-17-8-7-15(12)13(16)14-11(3)6-9-18-5-2/h11-12H,4-10H2,1-3H3,(H,14,16)/t11-,12+/m0/s1.
What are the key properties of (3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide?
(3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide has a molecular weight of 274.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 95969405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).