methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate

C11H23N3O5S — CID 64541717

IUPACmethyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NCC(N)C(C)O)CC1
InChIInChI=1S/C11H23N3O5S/c1-8(15)10(12)7-13-20(17,18)14-5-3-9(4-6-14)11(16)19-2/h8-10,13,15H,3-7,12H2,1-2H3
InChIKeyOJWILIPIIYTYCR-UHFFFAOYSA-N
MW309.39 g/mol
LogP-1.59
Rot. Bonds6

About methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate

methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate (PubChem CID 64541717) has the molecular formula C11H23N3O5S and a molecular weight of 309.39 g/mol. Its IUPAC name is methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate
PubChem CID64541717
Molecular FormulaC11H23N3O5S
Molecular Weight309.39 g/mol
Exact Mass309.14
IUPAC Namemethyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NCC(N)C(C)O)CC1
InChIInChI=1S/C11H23N3O5S/c1-8(15)10(12)7-13-20(17,18)14-5-3-9(4-6-14)11(16)19-2/h8-10,13,15H,3-7,12H2,1-2H3
InChIKeyOJWILIPIIYTYCR-UHFFFAOYSA-N
XLogP-1.59
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate
CID 63731077
4-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-2-methylbutanoic acid
CID 80537972
1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107216371
(2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935936
methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate
CID 47362555
methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103352831
methyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate
CID 79255503
methyl 1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-4-carboxylate
CID 79255174
(2S)-2-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-3-methylbutanoic acid
CID 61136238
methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103270312
1-(2-methylbutylsulfamoyl)piperidine-4-carboxylic acid
CID 62693712
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate (CID 64541717) is methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)NCC(N)C(C)O)CC1.
What is the InChIKey of methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate?
The InChIKey is OJWILIPIIYTYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O5S/c1-8(15)10(12)7-13-20(17,18)14-5-3-9(4-6-14)11(16)19-2/h8-10,13,15H,3-7,12H2,1-2H3.
What are the key properties of methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate?
methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate has a molecular weight of 309.39 g/mol, XLogP of -1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 64541717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).