methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate

C12H23NO5S — CID 103969014

IUPACmethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C12H23NO5S/c1-10(11(15)18-2)19(16,17)13-8-12(9-14)6-4-3-5-7-12/h10,13-14H,3-9H2,1-2H3
InChIKeyHUOWVNXBMMAJAX-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.41
Rot. Bonds6

About methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate

methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate (PubChem CID 103969014) has the molecular formula C12H23NO5S and a molecular weight of 293.38 g/mol. Its IUPAC name is methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate
PubChem CID103969014
Molecular FormulaC12H23NO5S
Molecular Weight293.38 g/mol
Exact Mass293.13
IUPAC Namemethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C12H23NO5S/c1-10(11(15)18-2)19(16,17)13-8-12(9-14)6-4-3-5-7-12/h10,13-14H,3-9H2,1-2H3
InChIKeyHUOWVNXBMMAJAX-UHFFFAOYSA-N
XLogP0.41
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate
CID 115455438
methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate
CID 103352907
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
methyl 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylsulfamoyl]propanoate
CID 65121253
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide
CID 115362678
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279
1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide
CID 115360444
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide
CID 115362877
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate
CID 115455371
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate?
The IUPAC name of methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate (CID 103969014) is methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate?
The canonical SMILES for methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)NCC1(CO)CCCCC1.
What is the InChIKey of methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate?
The InChIKey is HUOWVNXBMMAJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S/c1-10(11(15)18-2)19(16,17)13-8-12(9-14)6-4-3-5-7-12/h10,13-14H,3-9H2,1-2H3.
What are the key properties of methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate?
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate has a molecular weight of 293.38 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate is sourced from PubChem (CID 103969014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).