N-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide

C16H30N2OS — CID 43595695

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide
SMILESCC(C)(C)SCC(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C16H30N2OS/c1-15(2,3)20-12-14(19)18-13-7-10-17-16(11-13)8-5-4-6-9-16/h13,17H,4-12H2,1-3H3,(H,18,19)
InChIKeyRDCVPTZCJIQWAQ-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.09
Rot. Bonds3

About N-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide

N-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide (PubChem CID 43595695) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide
PubChem CID43595695
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide
SMILESCC(C)(C)SCC(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C16H30N2OS/c1-15(2,3)20-12-14(19)18-13-7-10-17-16(11-13)8-5-4-6-9-16/h13,17H,4-12H2,1-3H3,(H,18,19)
InChIKeyRDCVPTZCJIQWAQ-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide 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-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide (CID 43595695) is N-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide is CC(C)(C)SCC(=O)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide?
The InChIKey is RDCVPTZCJIQWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-15(2,3)20-12-14(19)18-13-7-10-17-16(11-13)8-5-4-6-9-16/h13,17H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide?
N-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide has a molecular weight of 298.50 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide is sourced from PubChem (CID 43595695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).