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

C13H23N3OS — CID 103967814

IUPACN-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide
SMILESCNC(=O)CCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C13H23N3OS/c1-14-11(17)5-8-15-12-16-9-13(10-18-12)6-3-2-4-7-13/h2-10H2,1H3,(H,14,17)(H,15,16)
InChIKeySBILLNLSAVEOCU-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.77
Rot. Bonds3

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

N-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide (PubChem CID 103967814) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide
PubChem CID103967814
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide
SMILESCNC(=O)CCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C13H23N3OS/c1-14-11(17)5-8-15-12-16-9-13(10-18-12)6-3-2-4-7-13/h2-10H2,1H3,(H,14,17)(H,15,16)
InChIKeySBILLNLSAVEOCU-UHFFFAOYSA-N
XLogP1.77
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide?
The IUPAC name of N-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide (CID 103967814) is N-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide.
What is the SMILES notation for N-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide?
The canonical SMILES for N-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide is CNC(=O)CCNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide?
The InChIKey is SBILLNLSAVEOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-14-11(17)5-8-15-12-16-9-13(10-18-12)6-3-2-4-7-13/h2-10H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide?
N-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide has a molecular weight of 269.41 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanamide is sourced from PubChem (CID 103967814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).