N-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide

C10H22N2O3S — CID 103858969

IUPACN-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide
SMILESCC(CO)CCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H22N2O3S/c1-10(9-13)5-4-6-11-16(14,15)12-7-2-3-8-12/h10-11,13H,2-9H2,1H3
InChIKeyLCYGPFUBQCOXEN-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.33
Rot. Bonds7

About N-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide

N-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide (PubChem CID 103858969) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide
PubChem CID103858969
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide
SMILESCC(CO)CCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H22N2O3S/c1-10(9-13)5-4-6-11-16(14,15)12-7-2-3-8-12/h10-11,13H,2-9H2,1H3
InChIKeyLCYGPFUBQCOXEN-UHFFFAOYSA-N
XLogP0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.33
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

5-(Dimethylsulfamoylamino)-1-hydroxy-2,2-dimethylpentane
CID 71911267
2-(Dipropylsulfamoylamino)-1-hydroxy-4-methylpentane
CID 61246970
N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide
CID 61247379
3-(hydroxymethyl)-N-(2-methylbutyl)piperidine-1-sulfonamide
CID 65740075
3-(hydroxymethyl)-N-propylpiperidine-1-sulfonamide
CID 65741787
3-(hydroxymethyl)-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 65742208
N-butyl-3-(hydroxymethyl)piperidine-1-sulfonamide
CID 65742635
N-ethyl-3-(hydroxymethyl)piperidine-1-sulfonamide
CID 65744017
N-(4-hydroxy-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66106271
N-(5-hydroxy-4-methylpentyl)azepane-1-sulfonamide
CID 71908380
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-1-sulfonamide
CID 79254989
N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide
CID 79255507

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide (CID 103858969) is N-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide is CC(CO)CCCNS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide?
The InChIKey is LCYGPFUBQCOXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-10(9-13)5-4-6-11-16(14,15)12-7-2-3-8-12/h10-11,13H,2-9H2,1H3.
What are the key properties of N-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide?
N-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide has a molecular weight of 250.36 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-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 103858969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).