N-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide

C17H29NO2S — CID 134204148

IUPACN-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide
SMILESCC(C)(C)C1C2CC3CC1CC(NS(=O)(=O)C1CC1)(C3)C2
InChIInChI=1S/C17H29NO2S/c1-16(2,3)15-12-6-11-7-13(15)10-17(8-11,9-12)18-21(19,20)14-4-5-14/h11-15,18H,4-10H2,1-3H3
InChIKeyQSRMSIJYOMYSBL-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.31
Rot. Bonds3

About N-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide

N-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide (PubChem CID 134204148) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is N-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide
PubChem CID134204148
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC NameN-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide
SMILESCC(C)(C)C1C2CC3CC1CC(NS(=O)(=O)C1CC1)(C3)C2
InChIInChI=1S/C17H29NO2S/c1-16(2,3)15-12-6-11-7-13(15)10-17(8-11,9-12)18-21(19,20)14-4-5-14/h11-15,18H,4-10H2,1-3H3
InChIKeyQSRMSIJYOMYSBL-UHFFFAOYSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide?
The IUPAC name of N-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide (CID 134204148) is N-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide?
The canonical SMILES for N-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide is CC(C)(C)C1C2CC3CC1CC(NS(=O)(=O)C1CC1)(C3)C2.
What is the InChIKey of N-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide?
The InChIKey is QSRMSIJYOMYSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-16(2,3)15-12-6-11-7-13(15)10-17(8-11,9-12)18-21(19,20)14-4-5-14/h11-15,18H,4-10H2,1-3H3.
What are the key properties of N-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide?
N-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide has a molecular weight of 311.49 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide is sourced from PubChem (CID 134204148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).