4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine

C14H30N2O2S — CID 59476409

IUPAC4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine
SMILESCC(C)(C)NS(=O)(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2O2S/c1-13(2,3)11-7-9-12(10-8-11)15-19(17,18)16-14(4,5)6/h11-12,15-16H,7-10H2,1-6H3
InChIKeyQXSFGLOTPNUQEY-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.81
Rot. Bonds3

About 4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine

4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine (PubChem CID 59476409) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine
PubChem CID59476409
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine
SMILESCC(C)(C)NS(=O)(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2O2S/c1-13(2,3)11-7-9-12(10-8-11)15-19(17,18)16-14(4,5)6/h11-12,15-16H,7-10H2,1-6H3
InChIKeyQXSFGLOTPNUQEY-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine (CID 59476409) is 4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine is CC(C)(C)NS(=O)(=O)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine?
The InChIKey is QXSFGLOTPNUQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-13(2,3)11-7-9-12(10-8-11)15-19(17,18)16-14(4,5)6/h11-12,15-16H,7-10H2,1-6H3.
What are the key properties of 4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine?
4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine has a molecular weight of 290.47 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(tert-butylsulfamoyl)cyclohexan-1-amine is sourced from PubChem (CID 59476409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).