propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate

C12H25N3O4S — CID 114461299

IUPACpropan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)C1(CN)CCCCC1
InChIInChI=1S/C12H25N3O4S/c1-10(2)19-11(16)14-20(17,18)15(3)12(9-13)7-5-4-6-8-12/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyUNTWQZVGSSHASV-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.96
Rot. Bonds5

About propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate

propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate (PubChem CID 114461299) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate
PubChem CID114461299
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Namepropan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)C1(CN)CCCCC1
InChIInChI=1S/C12H25N3O4S/c1-10(2)19-11(16)14-20(17,18)15(3)12(9-13)7-5-4-6-8-12/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyUNTWQZVGSSHASV-UHFFFAOYSA-N
XLogP0.96
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate (CID 114461299) is propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)N(C)C1(CN)CCCCC1.
What is the InChIKey of propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate?
The InChIKey is UNTWQZVGSSHASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-10(2)19-11(16)14-20(17,18)15(3)12(9-13)7-5-4-6-8-12/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate?
propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate has a molecular weight of 307.42 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate is sourced from PubChem (CID 114461299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).