N-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide

C18H31NO2S — CID 134204259

IUPACN-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide
SMILESCC(C)(C)C1C2CC3CC1CC(C2)C3NS(=O)(=O)CC1CC1
InChIInChI=1S/C18H31NO2S/c1-18(2,3)16-12-6-14-8-13(16)9-15(7-12)17(14)19-22(20,21)10-11-4-5-11/h11-17,19H,4-10H2,1-3H3
InChIKeyDOEDYVPZONYLEB-UHFFFAOYSA-N
MW325.52 g/mol
LogP3.41
Rot. Bonds4

About N-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide

N-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide (PubChem CID 134204259) has the molecular formula C18H31NO2S and a molecular weight of 325.52 g/mol. Its IUPAC name is N-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide
PubChem CID134204259
Molecular FormulaC18H31NO2S
Molecular Weight325.52 g/mol
Exact Mass325.21
IUPAC NameN-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide
SMILESCC(C)(C)C1C2CC3CC1CC(C2)C3NS(=O)(=O)CC1CC1
InChIInChI=1S/C18H31NO2S/c1-18(2,3)16-12-6-14-8-13(16)9-15(7-12)17(14)19-22(20,21)10-11-4-5-11/h11-17,19H,4-10H2,1-3H3
InChIKeyDOEDYVPZONYLEB-UHFFFAOYSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide (CID 134204259) is N-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide is CC(C)(C)C1C2CC3CC1CC(C2)C3NS(=O)(=O)CC1CC1.
What is the InChIKey of N-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide?
The InChIKey is DOEDYVPZONYLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2S/c1-18(2,3)16-12-6-14-8-13(16)9-15(7-12)17(14)19-22(20,21)10-11-4-5-11/h11-17,19H,4-10H2,1-3H3.
What are the key properties of N-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide?
N-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide has a molecular weight of 325.52 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 134204259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).