methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate

C13H24N2O5S — CID 103270312

IUPACmethyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NCC2CCC(O)C2)CC1
InChIInChI=1S/C13H24N2O5S/c1-20-13(17)11-4-6-15(7-5-11)21(18,19)14-9-10-2-3-12(16)8-10/h10-12,14,16H,2-9H2,1H3
InChIKeyWARNJUUHIPQYOA-UHFFFAOYSA-N
MW320.41 g/mol
LogP-0.13
Rot. Bonds5

About methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate

methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate (PubChem CID 103270312) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate
PubChem CID103270312
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Namemethyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NCC2CCC(O)C2)CC1
InChIInChI=1S/C13H24N2O5S/c1-20-13(17)11-4-6-15(7-5-11)21(18,19)14-9-10-2-3-12(16)8-10/h10-12,14,16H,2-9H2,1H3
InChIKeyWARNJUUHIPQYOA-UHFFFAOYSA-N
XLogP-0.13
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]pyrrolidine-1-sulfonamide
CID 103270314
N-[(4-hydroxycyclohexyl)methyl]piperidine-1-sulfonamide
CID 114147060
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
CID 106125364
methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate
CID 64541717
methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103352831
4-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-2-methylbutanoic acid
CID 80537972
methyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate
CID 63623626
4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525053
1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 106120655
methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate
CID 47362555
methyl 1-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)piperidine-4-carboxylate
CID 114694302

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate (CID 103270312) is methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)NCC2CCC(O)C2)CC1.
What is the InChIKey of methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate?
The InChIKey is WARNJUUHIPQYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-20-13(17)11-4-6-15(7-5-11)21(18,19)14-9-10-2-3-12(16)8-10/h10-12,14,16H,2-9H2,1H3.
What are the key properties of methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate?
methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate has a molecular weight of 320.41 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 103270312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).