N-(1-adamantyl)-2-methylpropane-2-sulfonamide

C14H25NO2S — CID 176728632

IUPACN-(1-adamantyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25NO2S/c1-13(2,3)18(16,17)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15H,4-9H2,1-3H3
InChIKeyGHXDBPVCKRUSKF-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.67
Rot. Bonds2

About N-(1-adamantyl)-2-methylpropane-2-sulfonamide

N-(1-adamantyl)-2-methylpropane-2-sulfonamide (PubChem CID 176728632) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(1-adamantyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-methylpropane-2-sulfonamide
PubChem CID176728632
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC NameN-(1-adamantyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25NO2S/c1-13(2,3)18(16,17)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15H,4-9H2,1-3H3
InChIKeyGHXDBPVCKRUSKF-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(1-adamantyl)-2-methylpropane-2-sulfonamide (CID 176728632) is N-(1-adamantyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(1-adamantyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(1-adamantyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-methylpropane-2-sulfonamide?
The InChIKey is GHXDBPVCKRUSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-13(2,3)18(16,17)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15H,4-9H2,1-3H3.
What are the key properties of N-(1-adamantyl)-2-methylpropane-2-sulfonamide?
N-(1-adamantyl)-2-methylpropane-2-sulfonamide has a molecular weight of 271.43 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 176728632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).