N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide

C9H20N2O3S — CID 106333857

IUPACN-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNCC1CCC(C)O1
InChIInChI=1S/C9H20N2O3S/c1-8-3-4-9(14-8)7-11-5-6-15(12,13)10-2/h8-11H,3-7H2,1-2H3
InChIKeyDIGMOPHVHWLSDO-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.31
Rot. Bonds6

About N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide

N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide (PubChem CID 106333857) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide
PubChem CID106333857
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNCC1CCC(C)O1
InChIInChI=1S/C9H20N2O3S/c1-8-3-4-9(14-8)7-11-5-6-15(12,13)10-2/h8-11H,3-7H2,1-2H3
InChIKeyDIGMOPHVHWLSDO-UHFFFAOYSA-N
XLogP-0.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836481
N',N'-dimethyl-N-[(5-methyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 82834863
N-[(5-methyloxolan-2-yl)methyl]octan-1-amine
CID 82835383
2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide
CID 102674917
2-ethoxy-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833976
N-methyl-2-[(5-methyloxolan-2-yl)methylamino]acetamide
CID 82833793
N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide
CID 106333681
2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate
CID 83212137
N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040718
N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 82836463
N-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 82834516
3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 113411276

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide (CID 106333857) is N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide is CNS(=O)(=O)CCNCC1CCC(C)O1.
What is the InChIKey of N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide?
The InChIKey is DIGMOPHVHWLSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8-3-4-9(14-8)7-11-5-6-15(12,13)10-2/h8-11H,3-7H2,1-2H3.
What are the key properties of N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide?
N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide is sourced from PubChem (CID 106333857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).