N-(2-hydroxyethyl)-N-propylmethanesulfonamide

C6H15NO3S — CID 20702534

IUPACN-(2-hydroxyethyl)-N-propylmethanesulfonamide
SMILESCCCN(CCO)S(C)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-3-4-7(5-6-8)11(2,9)10/h8H,3-6H2,1-2H3
InChIKeyOGQZEOKUAMWPOG-UHFFFAOYSA-N
MW181.26 g/mol
LogP-0.35
Rot. Bonds5

About N-(2-hydroxyethyl)-N-propylmethanesulfonamide

N-(2-hydroxyethyl)-N-propylmethanesulfonamide (PubChem CID 20702534) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propylmethanesulfonamide
PubChem CID20702534
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC NameN-(2-hydroxyethyl)-N-propylmethanesulfonamide
SMILESCCCN(CCO)S(C)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-3-4-7(5-6-8)11(2,9)10/h8H,3-6H2,1-2H3
InChIKeyOGQZEOKUAMWPOG-UHFFFAOYSA-N
XLogP-0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

N-(2-hydroxypropyl)-N-methylmethanesulfonamide
CID 20224904
Ethanaminium, 2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethyl-, methanesulfonate (1:1)
CID 87184423
Methane sulfonylcholine chloride
CID 129661120
N-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide
CID 60956935
1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide
CID 61425864
1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide
CID 61426073
N-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide
CID 61448022
N-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide
CID 61448476
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 64584575
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 107483542
N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 39242554
N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 14868621

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propylmethanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propylmethanesulfonamide (CID 20702534) is N-(2-hydroxyethyl)-N-propylmethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propylmethanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propylmethanesulfonamide is CCCN(CCO)S(C)(=O)=O.
What is the InChIKey of N-(2-hydroxyethyl)-N-propylmethanesulfonamide?
The InChIKey is OGQZEOKUAMWPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-3-4-7(5-6-8)11(2,9)10/h8H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-propylmethanesulfonamide?
N-(2-hydroxyethyl)-N-propylmethanesulfonamide has a molecular weight of 181.26 g/mol, XLogP of -0.35, 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-propylmethanesulfonamide is sourced from PubChem (CID 20702534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).