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

C12H21N3OS — CID 103967687

IUPAC3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide
SMILESNC(=O)CCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C12H21N3OS/c13-10(16)4-7-14-11-15-8-12(9-17-11)5-2-1-3-6-12/h1-9H2,(H2,13,16)(H,14,15)
InChIKeyFYYNINIELSHLIB-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.50
Rot. Bonds3

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

3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide (PubChem CID 103967687) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide.

Molecular Properties

Compound Name3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide
PubChem CID103967687
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide
SMILESNC(=O)CCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C12H21N3OS/c13-10(16)4-7-14-11-15-8-12(9-17-11)5-2-1-3-6-12/h1-9H2,(H2,13,16)(H,14,15)
InChIKeyFYYNINIELSHLIB-UHFFFAOYSA-N
XLogP1.50
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide?
The IUPAC name of 3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide (CID 103967687) is 3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide.
What is the SMILES notation for 3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide?
The canonical SMILES for 3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide is NC(=O)CCNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of 3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide?
The InChIKey is FYYNINIELSHLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c13-10(16)4-7-14-11-15-8-12(9-17-11)5-2-1-3-6-12/h1-9H2,(H2,13,16)(H,14,15).
What are the key properties of 3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide?
3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide has a molecular weight of 255.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide is sourced from PubChem (CID 103967687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).