methyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate

C12H25N3O4S — CID 114461318

IUPACmethyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate
SMILESCCN(C1(CN)CCCC(C)C1)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C12H25N3O4S/c1-4-15(20(17,18)14-11(16)19-3)12(9-13)7-5-6-10(2)8-12/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyMVUKLCZWADUQSR-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.82
Rot. Bonds5

About methyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate

methyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate (PubChem CID 114461318) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is methyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate
PubChem CID114461318
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Namemethyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate
SMILESCCN(C1(CN)CCCC(C)C1)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C12H25N3O4S/c1-4-15(20(17,18)14-11(16)19-3)12(9-13)7-5-6-10(2)8-12/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyMVUKLCZWADUQSR-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate?
The IUPAC name of methyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate (CID 114461318) is methyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate.
What is the SMILES notation for methyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate?
The canonical SMILES for methyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate is CCN(C1(CN)CCCC(C)C1)S(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate?
The InChIKey is MVUKLCZWADUQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-4-15(20(17,18)14-11(16)19-3)12(9-13)7-5-6-10(2)8-12/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of methyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate?
methyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate has a molecular weight of 307.42 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate is sourced from PubChem (CID 114461318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).