N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide

C8H19NO3S — CID 144745139

IUPACN-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide
SMILESCC(C)CCCS(=O)(=O)NCCO
InChIInChI=1S/C8H19NO3S/c1-8(2)4-3-7-13(11,12)9-5-6-10/h8-10H,3-7H2,1-2H3
InChIKeyHDXXFJOJIBQSGW-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.33
Rot. Bonds7

About N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide

N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide (PubChem CID 144745139) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide
PubChem CID144745139
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide
SMILESCC(C)CCCS(=O)(=O)NCCO
InChIInChI=1S/C8H19NO3S/c1-8(2)4-3-7-13(11,12)9-5-6-10/h8-10H,3-7H2,1-2H3
InChIKeyHDXXFJOJIBQSGW-UHFFFAOYSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methylpentane-1-sulfonamide
CID 121353244
N-(2-hydroxyethyl)decane-1-sulfonamide
CID 171981376
3-chloro-N-(3-methylbutyl)propane-1-sulfonamide
CID 43654031
N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 107271294
4-methyl-N-methylsulfonylpentane-1-sulfonamide
CID 146494424
N-(5-methylhexyl)ethanesulfonamide
CID 79002950
2-amino-N-(2-hydroxyethyl)ethanesulfonamide
CID 87239494
N-(4-bromopentyl)-3-methylbutane-1-sulfonamide
CID 106135738
(2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid
CID 87289729
N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide
CID 106158943
6-methylheptylsulfamic acid
CID 87283481
4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide (CID 144745139) is N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide is CC(C)CCCS(=O)(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide?
The InChIKey is HDXXFJOJIBQSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-8(2)4-3-7-13(11,12)9-5-6-10/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide?
N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide is sourced from PubChem (CID 144745139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).