N,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide

C13H23N3OS — CID 113294197

IUPACN,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide
SMILESCC(NC1=NCC2(CCCC2)CS1)C(=O)N(C)C
InChIInChI=1S/C13H23N3OS/c1-10(11(17)16(2)3)15-12-14-8-13(9-18-12)6-4-5-7-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyLOEWVHZLKMKYQP-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.72
Rot. Bonds2

About N,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide

N,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide (PubChem CID 113294197) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide
PubChem CID113294197
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide
SMILESCC(NC1=NCC2(CCCC2)CS1)C(=O)N(C)C
InChIInChI=1S/C13H23N3OS/c1-10(11(17)16(2)3)15-12-14-8-13(9-18-12)6-4-5-7-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyLOEWVHZLKMKYQP-UHFFFAOYSA-N
XLogP1.72
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide?
The IUPAC name of N,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide (CID 113294197) is N,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide?
The canonical SMILES for N,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide is CC(NC1=NCC2(CCCC2)CS1)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide?
The InChIKey is LOEWVHZLKMKYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10(11(17)16(2)3)15-12-14-8-13(9-18-12)6-4-5-7-13/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide?
N,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide has a molecular weight of 269.41 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide is sourced from PubChem (CID 113294197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).