(4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide

C12H28N4O6S2 — CID 161140600

IUPAC(4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide
SMILESCCN1CCOC(CS(N)(=O)=O)C1.NS(=O)(=O)CC1CNCCO1
InChIInChI=1S/C7H16N2O3S.C5H12N2O3S/c1-2-9-3-4-12-7(5-9)6-13(8,10)11;6-11(8,9)4-5-3-7-1-2-10-5/h7H,2-6H2,1H3,(H2,8,10,11);5,7H,1-4H2,(H2,6,8,9)
InChIKeyUNJWJUOUMOPFEZ-UHFFFAOYSA-N
MW388.51 g/mol
LogP-2.74
Rot. Bonds5

About (4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide

(4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide (PubChem CID 161140600) has the molecular formula C12H28N4O6S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide.

Molecular Properties

Compound Name(4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide
PubChem CID161140600
Molecular FormulaC12H28N4O6S2
Molecular Weight388.51 g/mol
Exact Mass388.15
IUPAC Name(4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide
SMILESCCN1CCOC(CS(N)(=O)=O)C1.NS(=O)(=O)CC1CNCCO1
InChIInChI=1S/C7H16N2O3S.C5H12N2O3S/c1-2-9-3-4-12-7(5-9)6-13(8,10)11;6-11(8,9)4-5-3-7-1-2-10-5/h7H,2-6H2,1H3,(H2,8,10,11);5,7H,1-4H2,(H2,6,8,9)
InChIKeyUNJWJUOUMOPFEZ-UHFFFAOYSA-N
XLogP-2.74
TPSA154.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 5-2.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-diethylmorpholine
CID 58988021
N-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
CID 114400447
N-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-3-sulfonamide
CID 114401404
N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 114400701
1-(2-ethylmorpholin-4-yl)-2-morpholin-2-ylethanone
CID 66432993
2-ethylmorpholine;1-methylpyrrolidine
CID 67235246
4-ethyl-2-propylmorpholine
CID 127673597
N-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide
CID 79182706
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylazetidin-3-amine
CID 79182019
2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline
CID 81183819

Frequently Asked Questions

What is the IUPAC name of (4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide?
The IUPAC name of (4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide (CID 161140600) is (4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide.
What is the SMILES notation for (4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide?
The canonical SMILES for (4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide is CCN1CCOC(CS(N)(=O)=O)C1.NS(=O)(=O)CC1CNCCO1.
What is the InChIKey of (4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide?
The InChIKey is UNJWJUOUMOPFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S.C5H12N2O3S/c1-2-9-3-4-12-7(5-9)6-13(8,10)11;6-11(8,9)4-5-3-7-1-2-10-5/h7H,2-6H2,1H3,(H2,8,10,11);5,7H,1-4H2,(H2,6,8,9).
What are the key properties of (4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide?
(4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide has a molecular weight of 388.51 g/mol, XLogP of -2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylmorpholin-2-yl)methanesulfonamide;morpholin-2-ylmethanesulfonamide is sourced from PubChem (CID 161140600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).