2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide

C12H21N3OS — CID 106362969

IUPAC2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide
SMILESCC(NC1=NC2CCCC2CS1)C(=O)N(C)C
InChIInChI=1S/C12H21N3OS/c1-8(11(16)15(2)3)13-12-14-10-6-4-5-9(10)7-17-12/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyZBKKKUMEPAIDSN-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.32
Rot. Bonds2

About 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide

2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide (PubChem CID 106362969) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide
PubChem CID106362969
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide
SMILESCC(NC1=NC2CCCC2CS1)C(=O)N(C)C
InChIInChI=1S/C12H21N3OS/c1-8(11(16)15(2)3)13-12-14-10-6-4-5-9(10)7-17-12/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyZBKKKUMEPAIDSN-UHFFFAOYSA-N
XLogP1.32
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide (CID 106362969) is 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide is CC(NC1=NC2CCCC2CS1)C(=O)N(C)C.
What is the InChIKey of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide?
The InChIKey is ZBKKKUMEPAIDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8(11(16)15(2)3)13-12-14-10-6-4-5-9(10)7-17-12/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide?
2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide has a molecular weight of 255.39 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 106362969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).