methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate

C9H19N3O4S — CID 106126310

IUPACmethyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NCC1CCC(N)CC1
InChIInChI=1S/C9H19N3O4S/c1-16-9(13)12-17(14,15)11-6-7-2-4-8(10)5-3-7/h7-8,11H,2-6,10H2,1H3,(H,12,13)
InChIKeyYMAZGOIHXYKYSV-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.31
Rot. Bonds4

About methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate

methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate (PubChem CID 106126310) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate
PubChem CID106126310
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Namemethyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NCC1CCC(N)CC1
InChIInChI=1S/C9H19N3O4S/c1-16-9(13)12-17(14,15)11-6-7-2-4-8(10)5-3-7/h7-8,11H,2-6,10H2,1H3,(H,12,13)
InChIKeyYMAZGOIHXYKYSV-UHFFFAOYSA-N
XLogP-0.31
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
CID 162624935
4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126251
tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate
CID 155097474
ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate
CID 114463214
1-cyclopropyl-N-(methylsulfamoyl)methanamine
CID 130639656
methyl N-(2-aminopropylsulfamoyl)carbamate
CID 114464784
methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
CID 114463719
ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate
CID 114466703
ethyl N-[[2-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466708
methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate
CID 106288784
methyl N-(4-bromobutylsulfamoyl)carbamate
CID 106846716
methyl N-(but-3-ynylsulfamoyl)carbamate
CID 114466093

Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate?
The IUPAC name of methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate (CID 106126310) is methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate?
The canonical SMILES for methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate is COC(=O)NS(=O)(=O)NCC1CCC(N)CC1.
What is the InChIKey of methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate?
The InChIKey is YMAZGOIHXYKYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-16-9(13)12-17(14,15)11-6-7-2-4-8(10)5-3-7/h7-8,11H,2-6,10H2,1H3,(H,12,13).
What are the key properties of methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate?
methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate has a molecular weight of 265.33 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate is sourced from PubChem (CID 106126310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).