N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide

C8H17NO5S — CID 115772414

IUPACN,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)N(CCO)CCO)S(C)(=O)=O
InChIInChI=1S/C8H17NO5S/c1-7(15(2,13)14)8(12)9(3-5-10)4-6-11/h7,10-11H,3-6H2,1-2H3
InChIKeyMCRIEXNPWMWZDO-UHFFFAOYSA-N
MW239.29 g/mol
LogP-1.77
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide

N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide (PubChem CID 115772414) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide
PubChem CID115772414
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC NameN,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)N(CCO)CCO)S(C)(=O)=O
InChIInChI=1S/C8H17NO5S/c1-7(15(2,13)14)8(12)9(3-5-10)4-6-11/h7,10-11H,3-6H2,1-2H3
InChIKeyMCRIEXNPWMWZDO-UHFFFAOYSA-N
XLogP-1.77
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylsulfonylpropanamide
CID 115772770
N,N-bis(2-chloroethyl)-2-methylsulfonylpropanamide
CID 104520204
N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582885
2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid
CID 115730555
N-(cyanomethyl)-2-methylsulfonyl-N-propylpropanamide
CID 112686400
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104519364
N-(2-bromoethyl)-2-methylsulfonyl-N-propan-2-ylpropanamide
CID 104522292
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104521764
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104519374
[2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium
CID 129254185
(2S)-N,N-bis(2-hydroxyethyl)-3,3-dimethyl-2-propan-2-ylbutanamide
CID 87847862
N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582870

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide (CID 115772414) is N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide is CC(C(=O)N(CCO)CCO)S(C)(=O)=O.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide?
The InChIKey is MCRIEXNPWMWZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-7(15(2,13)14)8(12)9(3-5-10)4-6-11/h7,10-11H,3-6H2,1-2H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide?
N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide has a molecular weight of 239.29 g/mol, XLogP of -1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 115772414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).