N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine

C13H27N3O2S — CID 66213871

IUPACN-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine
SMILESCCCN(C1CNC1)S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H27N3O2S/c1-3-9-16(13-10-14-11-13)19(17,18)15(2)12-7-5-4-6-8-12/h12-14H,3-11H2,1-2H3
InChIKeyBWMXCFKFNWHRJA-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.18
Rot. Bonds6

About N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine

N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine (PubChem CID 66213871) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine
PubChem CID66213871
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine
SMILESCCCN(C1CNC1)S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H27N3O2S/c1-3-9-16(13-10-14-11-13)19(17,18)15(2)12-7-5-4-6-8-12/h12-14H,3-11H2,1-2H3
InChIKeyBWMXCFKFNWHRJA-UHFFFAOYSA-N
XLogP1.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine (CID 66213871) is N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine is CCCN(C1CNC1)S(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine?
The InChIKey is BWMXCFKFNWHRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-3-9-16(13-10-14-11-13)19(17,18)15(2)12-7-5-4-6-8-12/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine?
N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine has a molecular weight of 289.44 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine is sourced from PubChem (CID 66213871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).