N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide

C7H17NO5S2 — CID 82842151

IUPACN-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide
SMILESCCCN(CCO)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C7H17NO5S2/c1-3-4-8(5-6-9)15(12,13)7-14(2,10)11/h9H,3-7H2,1-2H3
InChIKeyXZTSTRHZWLRPSZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.98
Rot. Bonds7

About N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide

N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide (PubChem CID 82842151) has the molecular formula C7H17NO5S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide
PubChem CID82842151
Molecular FormulaC7H17NO5S2
Molecular Weight259.35 g/mol
Exact Mass259.05
IUPAC NameN-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide
SMILESCCCN(CCO)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C7H17NO5S2/c1-3-4-8(5-6-9)15(12,13)7-14(2,10)11/h9H,3-7H2,1-2H3
InChIKeyXZTSTRHZWLRPSZ-UHFFFAOYSA-N
XLogP-0.98
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[dipropylsulfamoyl(2-hydroxyethyl)amino]ethanol
CID 61233822
N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide
CID 59747346
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
CID 83058644
N-(hydroxymethyl)-N-propylmethanesulfonamide
CID 90392308
N,N,N',N'-tetrahexylmethanedisulfonamide
CID 140586824
1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide
CID 82842868
4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111098
1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106608529
methyl 4-[hexyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 61460350
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide
CID 61426140
butyl(2-hydroxyethyl)sulfamic acid
CID 134897144
methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate
CID 54951714

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide (CID 82842151) is N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide is CCCN(CCO)S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide?
The InChIKey is XZTSTRHZWLRPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO5S2/c1-3-4-8(5-6-9)15(12,13)7-14(2,10)11/h9H,3-7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide?
N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide has a molecular weight of 259.35 g/mol, XLogP of -0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide is sourced from PubChem (CID 82842151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).