N,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide

C9H21NO4S — CID 63856787

IUPACN,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(CCO)CCO
InChIInChI=1S/C9H21NO4S/c1-9(2)3-8-15(13,14)10(4-6-11)5-7-12/h9,11-12H,3-8H2,1-2H3
InChIKeyZBRDDMIESKPQGV-UHFFFAOYSA-N
MW239.34 g/mol
LogP-0.35
Rot. Bonds8

About N,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide

N,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide (PubChem CID 63856787) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide
PubChem CID63856787
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC NameN,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(CCO)CCO
InChIInChI=1S/C9H21NO4S/c1-9(2)3-8-15(13,14)10(4-6-11)5-7-12/h9,11-12H,3-8H2,1-2H3
InChIKeyZBRDDMIESKPQGV-UHFFFAOYSA-N
XLogP-0.35
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide (CID 63856787) is N,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide?
The InChIKey is ZBRDDMIESKPQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S/c1-9(2)3-8-15(13,14)10(4-6-11)5-7-12/h9,11-12H,3-8H2,1-2H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide?
N,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide has a molecular weight of 239.34 g/mol, XLogP of -0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 63856787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).