N-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide

C7H17NO3S — CID 43574626

IUPACN-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide
SMILESCCS(=O)(=O)N(CCO)C(C)C
InChIInChI=1S/C7H17NO3S/c1-4-12(10,11)8(5-6-9)7(2)3/h7,9H,4-6H2,1-3H3
InChIKeyFTYYGPDPBKPOHQ-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.04
Rot. Bonds5

About N-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide

N-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide (PubChem CID 43574626) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide
PubChem CID43574626
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide
SMILESCCS(=O)(=O)N(CCO)C(C)C
InChIInChI=1S/C7H17NO3S/c1-4-12(10,11)8(5-6-9)7(2)3/h7,9H,4-6H2,1-3H3
InChIKeyFTYYGPDPBKPOHQ-UHFFFAOYSA-N
XLogP0.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide (CID 43574626) is N-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide is CCS(=O)(=O)N(CCO)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide?
The InChIKey is FTYYGPDPBKPOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-4-12(10,11)8(5-6-9)7(2)3/h7,9H,4-6H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide?
N-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide has a molecular weight of 195.28 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide is sourced from PubChem (CID 43574626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).