N-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide

C14H28N2O3S — CID 99859346

IUPACN-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide
SMILESCC1(C)CCC(S(=O)(=O)NCC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3S/c1-13(2,3)16-12(17)10-15-20(18,19)11-6-8-14(4,5)9-7-11/h11,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyRYJFXXXTWDZHLE-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.79
Rot. Bonds4

About N-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide

N-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide (PubChem CID 99859346) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide
PubChem CID99859346
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide
SMILESCC1(C)CCC(S(=O)(=O)NCC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3S/c1-13(2,3)16-12(17)10-15-20(18,19)11-6-8-14(4,5)9-7-11/h11,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyRYJFXXXTWDZHLE-UHFFFAOYSA-N
XLogP1.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide (CID 99859346) is N-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide is CC1(C)CCC(S(=O)(=O)NCC(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide?
The InChIKey is RYJFXXXTWDZHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-13(2,3)16-12(17)10-15-20(18,19)11-6-8-14(4,5)9-7-11/h11,15H,6-10H2,1-5H3,(H,16,17).
What are the key properties of N-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide?
N-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide has a molecular weight of 304.46 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4,4-dimethylcyclohexyl)sulfonylamino]acetamide is sourced from PubChem (CID 99859346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).