methyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate

C10H21N3O4S — CID 114461301

IUPACmethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)N(C)C1(CN)CCCCC1
InChIInChI=1S/C10H21N3O4S/c1-13(18(15,16)12-9(14)17-2)10(8-11)6-4-3-5-7-10/h3-8,11H2,1-2H3,(H,12,14)
InChIKeyBKCPDHOBYAJCHN-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.18
Rot. Bonds4

About methyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate

methyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate (PubChem CID 114461301) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate
PubChem CID114461301
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Namemethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)N(C)C1(CN)CCCCC1
InChIInChI=1S/C10H21N3O4S/c1-13(18(15,16)12-9(14)17-2)10(8-11)6-4-3-5-7-10/h3-8,11H2,1-2H3,(H,12,14)
InChIKeyBKCPDHOBYAJCHN-UHFFFAOYSA-N
XLogP0.18
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.18
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)cyclohexyl]-methylsulfamoyl]carbamate?
The IUPAC name of methyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate (CID 114461301) is methyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate.
What is the SMILES notation for methyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate?
The canonical SMILES for methyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate is COC(=O)NS(=O)(=O)N(C)C1(CN)CCCCC1.
What is the InChIKey of methyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate?
The InChIKey is BKCPDHOBYAJCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-13(18(15,16)12-9(14)17-2)10(8-11)6-4-3-5-7-10/h3-8,11H2,1-2H3,(H,12,14).
What are the key properties of methyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate?
methyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate has a molecular weight of 279.36 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate is sourced from PubChem (CID 114461301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).