propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate

C12H24N2O5S — CID 114464267

IUPACpropan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC1CCCCC1CO
InChIInChI=1S/C12H24N2O5S/c1-9(2)19-12(16)14-20(17,18)13-7-10-5-3-4-6-11(10)8-15/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyDEARHDGYBPNKMQ-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.75
Rot. Bonds6

About propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate

propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate (PubChem CID 114464267) has the molecular formula C12H24N2O5S and a molecular weight of 308.40 g/mol. Its IUPAC name is propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate
PubChem CID114464267
Molecular FormulaC12H24N2O5S
Molecular Weight308.40 g/mol
Exact Mass308.14
IUPAC Namepropan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC1CCCCC1CO
InChIInChI=1S/C12H24N2O5S/c1-9(2)19-12(16)14-20(17,18)13-7-10-5-3-4-6-11(10)8-15/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyDEARHDGYBPNKMQ-UHFFFAOYSA-N
XLogP0.75
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(ethylsulfamoylamino)methyl]cyclohexyl]methanol
CID 114809599
propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate
CID 114179792
propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate
CID 114463267
ethyl N-[[2-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466708
propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate
CID 114464755
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
CID 114466894
1-(hydroxymethyl)-2-[(sulfamoylamino)methyl]cyclopentane
CID 112573821
propan-2-yl N-[(1-hydroxycyclopentyl)methylsulfamoyl]carbamate
CID 114464241
propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate
CID 107389934
ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate
CID 114466703
propan-2-yl N-[cyclopentyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 114464161
propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate
CID 114464611

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate (CID 114464267) is propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NCC1CCCCC1CO.
What is the InChIKey of propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate?
The InChIKey is DEARHDGYBPNKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S/c1-9(2)19-12(16)14-20(17,18)13-7-10-5-3-4-6-11(10)8-15/h9-11,13,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate?
propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate has a molecular weight of 308.40 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate is sourced from PubChem (CID 114464267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).