cyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate

C19H40N2O4S — CID 158328738

IUPACcyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate
SMILESCS(=O)(=O)OCC1CCCC1.NNCC1CCCC1.OCC1CCCC1
InChIInChI=1S/C7H14O3S.C6H14N2.C6H12O/c1-11(8,9)10-6-7-4-2-3-5-7;7-8-5-6-3-1-2-4-6;7-5-6-3-1-2-4-6/h7H,2-6H2,1H3;6,8H,1-5,7H2;6-7H,1-5H2
InChIKeyGPSWGARAGNFSSB-UHFFFAOYSA-N
MW392.61 g/mol
LogP2.96
Rot. Bonds6

About cyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate

cyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate (PubChem CID 158328738) has the molecular formula C19H40N2O4S and a molecular weight of 392.61 g/mol. Its IUPAC name is cyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate.

Molecular Properties

Compound Namecyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate
PubChem CID158328738
Molecular FormulaC19H40N2O4S
Molecular Weight392.61 g/mol
Exact Mass392.27
IUPAC Namecyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate
SMILESCS(=O)(=O)OCC1CCCC1.NNCC1CCCC1.OCC1CCCC1
InChIInChI=1S/C7H14O3S.C6H14N2.C6H12O/c1-11(8,9)10-6-7-4-2-3-5-7;7-8-5-6-3-1-2-4-6;7-5-6-3-1-2-4-6/h7H,2-6H2,1H3;6,8H,1-5,7H2;6-7H,1-5H2
InChIKeyGPSWGARAGNFSSB-UHFFFAOYSA-N
XLogP2.96
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.61
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

cyclobutylmethanol;methanesulfonic acid
CID 71380993
1,1-dioxothiane-4-carboxylic acid;(1,1-dioxothian-4-yl)methanol;(1,1-dioxothian-4-yl)methyl methanesulfonate
CID 159668748
[(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate
CID 58665661
cyclohexylmethanol;sulfuric acid
CID 71362926
cyclobutylmethylhydrazine;dihydrochloride
CID 56604638
[2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate
CID 57493581
cyclotetradecylmethanol
CID 23468347
oxetan-3-ylmethyl methanesulfonate
CID 86680078
(1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate
CID 135173319
9-oxabicyclo[3.3.1]nonan-3-ylmethyl methanesulfonate
CID 535303
[(3S)-1-tert-butylpiperidin-3-yl]methyl methanesulfonate
CID 164945767
[4-(cyclobutylmethoxy)cyclohexyl]methanol
CID 106825263

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate?
The IUPAC name of cyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate (CID 158328738) is cyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate.
What is the SMILES notation for cyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate?
The canonical SMILES for cyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate is CS(=O)(=O)OCC1CCCC1.NNCC1CCCC1.OCC1CCCC1.
What is the InChIKey of cyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate?
The InChIKey is GPSWGARAGNFSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S.C6H14N2.C6H12O/c1-11(8,9)10-6-7-4-2-3-5-7;7-8-5-6-3-1-2-4-6;7-5-6-3-1-2-4-6/h7H,2-6H2,1H3;6,8H,1-5,7H2;6-7H,1-5H2.
What are the key properties of cyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate?
cyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate has a molecular weight of 392.61 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate is sourced from PubChem (CID 158328738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).