N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide

C7H18N2O5S2 — CID 106181408

IUPACN-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide
SMILESCOCC(CN)NS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C7H18N2O5S2/c1-14-6-7(5-8)9-16(12,13)4-3-15(2,10)11/h7,9H,3-6,8H2,1-2H3
InChIKeyOEEZKHTXGSQETG-UHFFFAOYSA-N
MW274.36 g/mol
LogP-2.08
Rot. Bonds8

About N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide

N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide (PubChem CID 106181408) has the molecular formula C7H18N2O5S2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide
PubChem CID106181408
Molecular FormulaC7H18N2O5S2
Molecular Weight274.36 g/mol
Exact Mass274.07
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide
SMILESCOCC(CN)NS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C7H18N2O5S2/c1-14-6-7(5-8)9-16(12,13)4-3-15(2,10)11/h7,9H,3-6,8H2,1-2H3
InChIKeyOEEZKHTXGSQETG-UHFFFAOYSA-N
XLogP-2.08
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine
CID 106181367
N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide
CID 65314172
N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide
CID 106180213
N-(3-chloro-4-methoxybutyl)-2-methylsulfonylethanesulfonamide
CID 106245439
N-(1-bromo-4-methylpentan-2-yl)-2-methylsulfonylethanesulfonamide
CID 114297331
N-(1-methoxypentan-2-yl)ethanesulfonamide
CID 64585946
N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride
CID 119983116
N-methoxy-2-methylsulfonylethanesulfonamide
CID 64973848
N-hex-5-yn-3-yl-2-methylsulfonylethanesulfonamide
CID 115650472
N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide
CID 106181220
3-amino-N-(1-methoxypropan-2-yl)propane-1-sulfonamide
CID 60910222
N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 103887492

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide (CID 106181408) is N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide is COCC(CN)NS(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide?
The InChIKey is OEEZKHTXGSQETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O5S2/c1-14-6-7(5-8)9-16(12,13)4-3-15(2,10)11/h7,9H,3-6,8H2,1-2H3.
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide?
N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide has a molecular weight of 274.36 g/mol, XLogP of -2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 106181408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).