2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide

C14H25N3OS — CID 106278951

IUPAC2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide
SMILESCC(C)(CNC1=NCC2(CCCCC2)CS1)C(N)=O
InChIInChI=1S/C14H25N3OS/c1-13(2,11(15)18)8-16-12-17-9-14(10-19-12)6-4-3-5-7-14/h3-10H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyOLBAMYVBIWAEOQ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.14
Rot. Bonds3

About 2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide

2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide (PubChem CID 106278951) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide
PubChem CID106278951
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide
SMILESCC(C)(CNC1=NCC2(CCCCC2)CS1)C(N)=O
InChIInChI=1S/C14H25N3OS/c1-13(2,11(15)18)8-16-12-17-9-14(10-19-12)6-4-3-5-7-14/h3-10H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyOLBAMYVBIWAEOQ-UHFFFAOYSA-N
XLogP2.14
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide?
The IUPAC name of 2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide (CID 106278951) is 2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide is CC(C)(CNC1=NCC2(CCCCC2)CS1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide?
The InChIKey is OLBAMYVBIWAEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-13(2,11(15)18)8-16-12-17-9-14(10-19-12)6-4-3-5-7-14/h3-10H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide?
2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide has a molecular weight of 283.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide is sourced from PubChem (CID 106278951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).