N-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide

C13H26N2O3S — CID 71974506

IUPACN-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C1CCCC1S(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-13(2,3)14-12(16)9-15(4)10-7-6-8-11(10)19(5,17)18/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyRSIPZIJBQVHTSA-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.80
Rot. Bonds4

About N-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide

N-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide (PubChem CID 71974506) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide
PubChem CID71974506
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C1CCCC1S(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-13(2,3)14-12(16)9-15(4)10-7-6-8-11(10)19(5,17)18/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyRSIPZIJBQVHTSA-UHFFFAOYSA-N
XLogP0.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide (CID 71974506) is N-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide is CN(CC(=O)NC(C)(C)C)C1CCCC1S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide?
The InChIKey is RSIPZIJBQVHTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-13(2,3)14-12(16)9-15(4)10-7-6-8-11(10)19(5,17)18/h10-11H,6-9H2,1-5H3,(H,14,16).
What are the key properties of N-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide?
N-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide has a molecular weight of 290.43 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide is sourced from PubChem (CID 71974506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).