2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine

C9H21NO6S3 — CID 139936011

IUPAC2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCN(CCS(C)(=O)=O)CCS(C)(=O)=O
InChIInChI=1S/C9H21NO6S3/c1-17(11,12)7-4-10(5-8-18(2,13)14)6-9-19(3,15)16/h4-9H2,1-3H3
InChIKeyJNNFFACMVJMLIU-UHFFFAOYSA-N
MW335.47 g/mol
LogP-1.58
Rot. Bonds9

About 2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine

2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine (PubChem CID 139936011) has the molecular formula C9H21NO6S3 and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine
PubChem CID139936011
Molecular FormulaC9H21NO6S3
Molecular Weight335.47 g/mol
Exact Mass335.05
IUPAC Name2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCN(CCS(C)(=O)=O)CCS(C)(=O)=O
InChIInChI=1S/C9H21NO6S3/c1-17(11,12)7-4-10(5-8-18(2,13)14)6-9-19(3,15)16/h4-9H2,1-3H3
InChIKeyJNNFFACMVJMLIU-UHFFFAOYSA-N
XLogP-1.58
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-methylsulphonylethylamine
CID 2817340
2-(Triethylammonio)ethane sulfonate
CID 4188134
Triethyl(2-methylsulfonylsulfanylethyl)azanium
CID 71752723
2-[2-(2-Fluoroethylsulfanyl)ethyl-dimethylazaniumyl]ethanesulfonate
CID 59017153
N-(2-{[2-(dimethylamino)ethyl]sulfonyl}ethyl)-N,N-dimethylamine
CID 282268
2-[Diethyl(methyl)azaniumyl]ethanesulfonate
CID 13351076
2-(2-Fluoroethylsulfanyl)ethyl-dimethyl-(2-sulfoethyl)azanium
CID 59017154
Hydron;2-(triethylazaniumyl)ethanesulfonate
CID 101285365
2,2-bis(ethylsulfonyl)-N,N-dimethylethenamine
CID 284063
2-[2-[2-(diethylamino)ethylsulfonyl]ethylsulfonyl]-N,N-diethylethanamine;hydrochloride
CID 24182147
S-[2-(Diethylamino)ethyl] 2-(diethylamino)ethane-1-sulfonothioate--hydrogen chloride (1/1)
CID 54600675
Tris-(2-methanethiosulfonylethyl)amine
CID 590503

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine (CID 139936011) is 2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine is CS(=O)(=O)CCN(CCS(C)(=O)=O)CCS(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine?
The InChIKey is JNNFFACMVJMLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO6S3/c1-17(11,12)7-4-10(5-8-18(2,13)14)6-9-19(3,15)16/h4-9H2,1-3H3.
What are the key properties of 2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine?
2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine has a molecular weight of 335.47 g/mol, XLogP of -1.58, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N,N-bis(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 139936011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).