[(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine

C7H16N2O3S — CID 42252747

IUPAC[(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine
SMILESCCS(=O)(=O)N1CCO[C@@H](CN)C1
InChIInChI=1S/C7H16N2O3S/c1-2-13(10,11)9-3-4-12-7(5-8)6-9/h7H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyMKHFWISOESFMEM-ZETCQYMHSA-N
MW208.28 g/mol
LogP-1.00
Rot. Bonds3

About [(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine

[(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine (PubChem CID 42252747) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is [(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine
PubChem CID42252747
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name[(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine
SMILESCCS(=O)(=O)N1CCO[C@@H](CN)C1
InChIInChI=1S/C7H16N2O3S/c1-2-13(10,11)9-3-4-12-7(5-8)6-9/h7H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyMKHFWISOESFMEM-ZETCQYMHSA-N
XLogP-1.00
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((morpholin-2-yl)methyl)methanesulfonamide
CID 43602761
2-(Morpholine-4-sulfonyl)ethan-1-amine
CID 16767330
4-(Ethylsulfonyl)-2,6-dimethylmorpholine
CID 303121
N-methyl-1-(morpholin-2-yl)methanesulfonamide hydrochloride
CID 134691047
2,2-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)propan-1-amine
CID 71933162
N-[2-(2,2-Dimethylmorpholin-4-YL)ethyl]propane-1-sulfonamide
CID 86817595
N-[2-[(2R)-2-tert-butylmorpholin-4-yl]sulfonylethyl]ethanesulfonamide
CID 124299286
2-(Methanesulfonylmethyl)morpholine
CID 83696073
N-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
CID 83058104
4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide
CID 83058240
1-[4-(4,4,4-Trifluorobutylsulfonyl)morpholin-2-yl]ethanamine
CID 83059578
[5-Methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
CID 83060013

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine?
The IUPAC name of [(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine (CID 42252747) is [(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine.
What is the SMILES notation for [(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine?
The canonical SMILES for [(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine is CCS(=O)(=O)N1CCO[C@@H](CN)C1.
What is the InChIKey of [(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine?
The InChIKey is MKHFWISOESFMEM-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-2-13(10,11)9-3-4-12-7(5-8)6-9/h7H,2-6,8H2,1H3/t7-/m0/s1.
What are the key properties of [(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine?
[(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine has a molecular weight of 208.28 g/mol, XLogP of -1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine is sourced from PubChem (CID 42252747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).