N,N-bis(2-hydroxyethyl)propane-1-sulfonamide

C7H17NO4S — CID 61234544

IUPACN,N-bis(2-hydroxyethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCO)CCO
InChIInChI=1S/C7H17NO4S/c1-2-7-13(11,12)8(3-5-9)4-6-10/h9-10H,2-7H2,1H3
InChIKeyIMBGZXYEWRLYFE-UHFFFAOYSA-N
MW211.28 g/mol
LogP-0.99
Rot. Bonds7

About N,N-bis(2-hydroxyethyl)propane-1-sulfonamide

N,N-bis(2-hydroxyethyl)propane-1-sulfonamide (PubChem CID 61234544) has the molecular formula C7H17NO4S and a molecular weight of 211.28 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)propane-1-sulfonamide
PubChem CID61234544
Molecular FormulaC7H17NO4S
Molecular Weight211.28 g/mol
Exact Mass211.09
IUPAC NameN,N-bis(2-hydroxyethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCO)CCO
InChIInChI=1S/C7H17NO4S/c1-2-7-13(11,12)8(3-5-9)4-6-10/h9-10H,2-7H2,1H3
InChIKeyIMBGZXYEWRLYFE-UHFFFAOYSA-N
XLogP-0.99
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-1-sulfonamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)propane-1-sulfonamide (CID 61234544) is N,N-bis(2-hydroxyethyl)propane-1-sulfonamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)propane-1-sulfonamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)propane-1-sulfonamide is CCCS(=O)(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)propane-1-sulfonamide?
The InChIKey is IMBGZXYEWRLYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4S/c1-2-7-13(11,12)8(3-5-9)4-6-10/h9-10H,2-7H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)propane-1-sulfonamide?
N,N-bis(2-hydroxyethyl)propane-1-sulfonamide has a molecular weight of 211.28 g/mol, XLogP of -0.99, 7 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-1-sulfonamide is sourced from PubChem (CID 61234544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).