N,N-bis(2-hydroxyethyl)propane-2-sulfonamide

C7H17NO4S — CID 61233638

IUPACN,N-bis(2-hydroxyethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C7H17NO4S/c1-7(2)13(11,12)8(3-5-9)4-6-10/h7,9-10H,3-6H2,1-2H3
InChIKeyGTEHDGWGVGESDQ-UHFFFAOYSA-N
MW211.28 g/mol
LogP-0.99
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)propane-2-sulfonamide

N,N-bis(2-hydroxyethyl)propane-2-sulfonamide (PubChem CID 61233638) has the molecular formula C7H17NO4S and a molecular weight of 211.28 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)propane-2-sulfonamide
PubChem CID61233638
Molecular FormulaC7H17NO4S
Molecular Weight211.28 g/mol
Exact Mass211.09
IUPAC NameN,N-bis(2-hydroxyethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C7H17NO4S/c1-7(2)13(11,12)8(3-5-9)4-6-10/h7,9-10H,3-6H2,1-2H3
InChIKeyGTEHDGWGVGESDQ-UHFFFAOYSA-N
XLogP-0.99
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 5-0.99
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)propane-2-sulfonamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)propane-2-sulfonamide (CID 61233638) is N,N-bis(2-hydroxyethyl)propane-2-sulfonamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)propane-2-sulfonamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)propane-2-sulfonamide?
The InChIKey is GTEHDGWGVGESDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4S/c1-7(2)13(11,12)8(3-5-9)4-6-10/h7,9-10H,3-6H2,1-2H3.
What are the key properties of N,N-bis(2-hydroxyethyl)propane-2-sulfonamide?
N,N-bis(2-hydroxyethyl)propane-2-sulfonamide has a molecular weight of 211.28 g/mol, XLogP of -0.99, 6 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)propane-2-sulfonamide is sourced from PubChem (CID 61233638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).