N-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine

C11H21F3N2O2S — CID 71973893

IUPACN-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine
SMILESCN(C)S(=O)(=O)N(CCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H21F3N2O2S/c1-15(2)19(17,18)16(9-8-11(12,13)14)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyZJNPRGYZOWSPRR-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.38
Rot. Bonds5

About N-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine

N-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine (PubChem CID 71973893) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine
PubChem CID71973893
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine
SMILESCN(C)S(=O)(=O)N(CCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H21F3N2O2S/c1-15(2)19(17,18)16(9-8-11(12,13)14)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyZJNPRGYZOWSPRR-UHFFFAOYSA-N
XLogP2.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine?
The IUPAC name of N-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine (CID 71973893) is N-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine.
What is the SMILES notation for N-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine?
The canonical SMILES for N-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine is CN(C)S(=O)(=O)N(CCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine?
The InChIKey is ZJNPRGYZOWSPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-15(2)19(17,18)16(9-8-11(12,13)14)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3.
What are the key properties of N-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine?
N-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine has a molecular weight of 302.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-N-(3,3,3-trifluoropropyl)cyclohexanamine is sourced from PubChem (CID 71973893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).