N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide

C7H18N2O3S — CID 62666694

IUPACN-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC(C)CN
InChIInChI=1S/C7H18N2O3S/c1-7(5-8)6-9-13(10,11)4-3-12-2/h7,9H,3-6,8H2,1-2H3
InChIKeyGIRFCNMWABSTJB-UHFFFAOYSA-N
MW210.30 g/mol
LogP-0.85
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide

N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide (PubChem CID 62666694) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
PubChem CID62666694
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC NameN-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC(C)CN
InChIInChI=1S/C7H18N2O3S/c1-7(5-8)6-9-13(10,11)4-3-12-2/h7,9H,3-6,8H2,1-2H3
InChIKeyGIRFCNMWABSTJB-UHFFFAOYSA-N
XLogP-0.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide
CID 115302783
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate
CID 103493525
5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid
CID 82684266
3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
CID 115302785
N-(3-bromo-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 114298100
N-[2-(2-aminoethyl)pentyl]-2-methoxyethanesulfonamide
CID 106116359
N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide
CID 76953299
2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid
CID 104936769
N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide
CID 104594111
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924
N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide
CID 106158927

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide (CID 62666694) is N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCC(C)CN.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide?
The InChIKey is GIRFCNMWABSTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-7(5-8)6-9-13(10,11)4-3-12-2/h7,9H,3-6,8H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide?
N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide has a molecular weight of 210.30 g/mol, XLogP of -0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 62666694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).