N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide

C6H15NO3S — CID 43574620

IUPACN-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCO)S(C)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-6(2)7(4-5-8)11(3,9)10/h6,8H,4-5H2,1-3H3
InChIKeyJOHXABDKRVJZQQ-UHFFFAOYSA-N
MW181.26 g/mol
LogP-0.35
Rot. Bonds4

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

N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 43574620) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
PubChem CID43574620
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCO)S(C)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-6(2)7(4-5-8)11(3,9)10/h6,8H,4-5H2,1-3H3
InChIKeyJOHXABDKRVJZQQ-UHFFFAOYSA-N
XLogP-0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide (CID 43574620) is N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CCO)S(C)(=O)=O.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is JOHXABDKRVJZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-6(2)7(4-5-8)11(3,9)10/h6,8H,4-5H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 181.26 g/mol, XLogP of -0.35, 4 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-ylmethanesulfonamide is sourced from PubChem (CID 43574620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).