3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide

C13H21N3OS — CID 136993526

IUPAC3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide
SMILESO=C(CC/N=C1/NC2CCCC2CS1)NC1CC1
InChIInChI=1S/C13H21N3OS/c17-12(15-10-4-5-10)6-7-14-13-16-11-3-1-2-9(11)8-18-13/h9-11H,1-8H2,(H,14,16)(H,15,17)
InChIKeyRLLNBCJOXZMONL-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.52
Rot. Bonds4

About 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide

3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide (PubChem CID 136993526) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide
PubChem CID136993526
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide
SMILESO=C(CC/N=C1/NC2CCCC2CS1)NC1CC1
InChIInChI=1S/C13H21N3OS/c17-12(15-10-4-5-10)6-7-14-13-16-11-3-1-2-9(11)8-18-13/h9-11H,1-8H2,(H,14,16)(H,15,17)
InChIKeyRLLNBCJOXZMONL-UHFFFAOYSA-N
XLogP1.52
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N-tert-butylpropanamide
CID 136747288
2-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-tert-butylacetamide
CID 136993539
N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136981461
N-[3-(2-methoxyethoxy)propyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747399
N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide
CID 135901138
3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine
CID 136747473
N-[2-(3-methylbutoxy)ethyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136993499
N-(5,5,5-trifluoropentyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747257
N-[(1,1-dioxothiolan-3-yl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747063
N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746906
N-[2-(oxolan-3-yl)ethyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747453
1-[(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 136747265

Frequently Asked Questions

What is the IUPAC name of 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide?
The IUPAC name of 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide (CID 136993526) is 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide is O=C(CC/N=C1/NC2CCCC2CS1)NC1CC1.
What is the InChIKey of 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide?
The InChIKey is RLLNBCJOXZMONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c17-12(15-10-4-5-10)6-7-14-13-16-11-3-1-2-9(11)8-18-13/h9-11H,1-8H2,(H,14,16)(H,15,17).
What are the key properties of 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide?
3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide has a molecular weight of 267.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide is sourced from PubChem (CID 136993526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).