N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropanamide

C8H17NO5S — CID 61235465

IUPACN,N-bis(2-hydroxyethyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)N(CCO)CCO
InChIInChI=1S/C8H17NO5S/c1-15(13,14)7-2-8(12)9(3-5-10)4-6-11/h10-11H,2-7H2,1H3
InChIKeyJVBZXVJRLPCROP-UHFFFAOYSA-N
MW239.29 g/mol
LogP-1.77
Rot. Bonds7

About N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropanamide

N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropanamide (PubChem CID 61235465) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3-methylsulfonylpropanamide
PubChem CID61235465
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC NameN,N-bis(2-hydroxyethyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)N(CCO)CCO
InChIInChI=1S/C8H17NO5S/c1-15(13,14)7-2-8(12)9(3-5-10)4-6-11/h10-11H,2-7H2,1H3
InChIKeyJVBZXVJRLPCROP-UHFFFAOYSA-N
XLogP-1.77
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropanamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropanamide (CID 61235465) is N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropanamide?
The InChIKey is JVBZXVJRLPCROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-15(13,14)7-2-8(12)9(3-5-10)4-6-11/h10-11H,2-7H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropanamide?
N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropanamide has a molecular weight of 239.29 g/mol, XLogP of -1.77, 7 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)-3-methylsulfonylpropanamide is sourced from PubChem (CID 61235465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).