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

C16H29NO2S — CID 134204150

IUPACN-(4-tert-butyl-1-adamantyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC12CC3CC(C1)C(C(C)(C)C)C(C3)C2
InChIInChI=1S/C16H29NO2S/c1-5-20(18,19)17-16-8-11-6-12(9-16)14(15(2,3)4)13(7-11)10-16/h11-14,17H,5-10H2,1-4H3
InChIKeyKFRLMYYXZDNINL-UHFFFAOYSA-N
MW299.48 g/mol
LogP3.17
Rot. Bonds3

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

N-(4-tert-butyl-1-adamantyl)ethanesulfonamide (PubChem CID 134204150) has the molecular formula C16H29NO2S and a molecular weight of 299.48 g/mol. Its IUPAC name is N-(4-tert-butyl-1-adamantyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1-adamantyl)ethanesulfonamide
PubChem CID134204150
Molecular FormulaC16H29NO2S
Molecular Weight299.48 g/mol
Exact Mass299.19
IUPAC NameN-(4-tert-butyl-1-adamantyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC12CC3CC(C1)C(C(C)(C)C)C(C3)C2
InChIInChI=1S/C16H29NO2S/c1-5-20(18,19)17-16-8-11-6-12(9-16)14(15(2,3)4)13(7-11)10-16/h11-14,17H,5-10H2,1-4H3
InChIKeyKFRLMYYXZDNINL-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)ethanesulfonamide
CID 3574114
N-(1-adamantyl)propane-2-sulfonamide
CID 49454798
(3-Methyladamantanyl)(methylsulfonyl)amine
CID 50878217
N-(4-propan-2-yl-1-adamantyl)methanesulfonamide
CID 59495975
N-(1-adamantyl)butane-2-sulfonamide
CID 60056620
N-[(3R,6S)-2-methyl-6-tetracyclo[4.3.1.14,8.01,3]undecanyl]methanesulfonamide
CID 70846293
N-(2-methyl-2-adamantyl)methanesulfonamide
CID 134195381
N-(4-tert-butyl-1-adamantyl)cyclopropanesulfonamide
CID 134204148
N-(6-tert-butyl-2-adamantyl)-1-cyclopropylmethanesulfonamide
CID 134204259
N-(4-tert-butyl-1-adamantyl)methanesulfonamide
CID 134204474
1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide
CID 134204492
N-(4-methyl-1-adamantyl)ethanesulfonamide
CID 134204497

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1-adamantyl)ethanesulfonamide?
The IUPAC name of N-(4-tert-butyl-1-adamantyl)ethanesulfonamide (CID 134204150) is N-(4-tert-butyl-1-adamantyl)ethanesulfonamide.
What is the SMILES notation for N-(4-tert-butyl-1-adamantyl)ethanesulfonamide?
The canonical SMILES for N-(4-tert-butyl-1-adamantyl)ethanesulfonamide is CCS(=O)(=O)NC12CC3CC(C1)C(C(C)(C)C)C(C3)C2.
What is the InChIKey of N-(4-tert-butyl-1-adamantyl)ethanesulfonamide?
The InChIKey is KFRLMYYXZDNINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2S/c1-5-20(18,19)17-16-8-11-6-12(9-16)14(15(2,3)4)13(7-11)10-16/h11-14,17H,5-10H2,1-4H3.
What are the key properties of N-(4-tert-butyl-1-adamantyl)ethanesulfonamide?
N-(4-tert-butyl-1-adamantyl)ethanesulfonamide has a molecular weight of 299.48 g/mol, XLogP of 3.17, 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)ethanesulfonamide is sourced from PubChem (CID 134204150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).