N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide

C8H19NO3S — CID 62335384

IUPACN-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C8H19NO3S/c1-4-5-6-13(11,12)9(3)7-8(2)10/h8,10H,4-7H2,1-3H3
InChIKeyZHJXSJXFYWRKKJ-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.43
Rot. Bonds6

About N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide

N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide (PubChem CID 62335384) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide
PubChem CID62335384
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C8H19NO3S/c1-4-5-6-13(11,12)9(3)7-8(2)10/h8,10H,4-7H2,1-3H3
InChIKeyZHJXSJXFYWRKKJ-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propanesulfonic acid, 3-(bis(2-hydroxyethyl)amino)-2-hydroxy-
CID 100210
N-(2-hydroxypropyl)-N-methylmethanesulfonamide
CID 20224904
3-[N-Bis(hydroxyethyl)amino]-2-hydroxypropansulfonsaure
CID 22262377
1-(Ethylsulfonyl)azetidin-3-ol
CID 63106255
Quats 9
CID 12981667
Bis(2-hydroxyethyl)methyl-3-sulphopropylammonium hydroxide
CID 21149798
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
CID 83058644
4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide
CID 83059712
3-fluoro-N-(3-hydroxybutyl)-N-methylpropane-1-sulfonamide
CID 112413520
3-[Bis(2-hydroxyethyl)-methylazaniumyl]propane-1-sulfonate;hydrate
CID 170847075
N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 39242554
(2S)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid
CID 6992865

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide (CID 62335384) is N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide is CCCCS(=O)(=O)N(C)CC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide?
The InChIKey is ZHJXSJXFYWRKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-4-5-6-13(11,12)9(3)7-8(2)10/h8,10H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide?
N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 62335384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).