N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide

C7H16N2O3S — CID 59833316

IUPACN-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
SMILESCN1CCOC(CNS(C)(=O)=O)C1
InChIInChI=1S/C7H16N2O3S/c1-9-3-4-12-7(6-9)5-8-13(2,10)11/h7-8H,3-6H2,1-2H3
InChIKeyMXKTWHXYFAAQRK-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.13
Rot. Bonds3

About N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide

N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide (PubChem CID 59833316) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
PubChem CID59833316
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
SMILESCN1CCOC(CNS(C)(=O)=O)C1
InChIInChI=1S/C7H16N2O3S/c1-9-3-4-12-7(6-9)5-8-13(2,10)11/h7-8H,3-6H2,1-2H3
InChIKeyMXKTWHXYFAAQRK-UHFFFAOYSA-N
XLogP-1.13
TPSA58.64 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 ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((morpholin-2-yl)methyl)methanesulfonamide
CID 43602761
N-methyl-1-(morpholin-2-yl)methanesulfonamide hydrochloride
CID 134691047
N-methyl-1-[4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine
CID 81685579
[4-(Trifluoromethylsulfonyl)morpholin-2-yl]methanamine
CID 114398512
[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine
CID 155354463
N-methyl-1-[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine
CID 166684096
1,1-difluoro-N-(morpholin-2-ylmethyl)methanesulfonamide
CID 43602749
[4-(Difluoromethylsulfonyl)morpholin-2-yl]methanamine
CID 61337995
[4-(Difluoromethylsulfonyl)-5-methylmorpholin-2-yl]methanamine
CID 81216979
1,1-difluoro-N-methyl-N-(morpholin-2-ylmethyl)methanesulfonamide
CID 81685839
1-[4-(difluoromethylsulfonyl)morpholin-2-yl]-N-methylmethanamine
CID 81686250
1,1,1-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)methanesulfonamide
CID 81686517

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide (CID 59833316) is N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide is CN1CCOC(CNS(C)(=O)=O)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide?
The InChIKey is MXKTWHXYFAAQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-9-3-4-12-7(6-9)5-8-13(2,10)11/h7-8H,3-6H2,1-2H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide?
N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide has a molecular weight of 208.28 g/mol, XLogP of -1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 59833316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).