N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide

C10H23NO3S — CID 107271294

IUPACN-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCCCC(C)O
InChIInChI=1S/C10H23NO3S/c1-9(2)6-8-15(13,14)11-7-4-5-10(3)12/h9-12H,4-8H2,1-3H3
InChIKeyGSWKUDWCJLRJNI-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.11
Rot. Bonds8

About N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide

N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide (PubChem CID 107271294) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide
PubChem CID107271294
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCCCC(C)O
InChIInChI=1S/C10H23NO3S/c1-9(2)6-8-15(13,14)11-7-4-5-10(3)12/h9-12H,4-8H2,1-3H3
InChIKeyGSWKUDWCJLRJNI-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromopentyl)-3-methylbutane-1-sulfonamide
CID 106135738
N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide
CID 106158943
N-(3-hydroxybutyl)-2-methylsulfonylethanesulfonamide
CID 64911861
2-(4-hydroxypentylsulfamoyl)acetic acid
CID 106120521
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide
CID 144745139
N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide
CID 106125748
5-(propylsulfamoylamino)pentan-2-ol
CID 106125663
N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide
CID 56795208
4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300
N-(4-hydroxypentyl)cyclopropanesulfonamide
CID 107271165
N-(5-methylhexyl)ethanesulfonamide
CID 79002950

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide (CID 107271294) is N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NCCCC(C)O.
What is the InChIKey of N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide?
The InChIKey is GSWKUDWCJLRJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(2)6-8-15(13,14)11-7-4-5-10(3)12/h9-12H,4-8H2,1-3H3.
What are the key properties of N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide?
N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 107271294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).