N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

C14H26N2S — CID 106363396

IUPACN-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCCC(CC)(CC)NC1=NC2CCCC2CS1
InChIInChI=1S/C14H26N2S/c1-4-14(5-2,6-3)16-13-15-12-9-7-8-11(12)10-17-13/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyJYBGZWNTMKIDSF-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.82
Rot. Bonds4

About N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (PubChem CID 106363396) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
PubChem CID106363396
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCCC(CC)(CC)NC1=NC2CCCC2CS1
InChIInChI=1S/C14H26N2S/c1-4-14(5-2,6-3)16-13-15-12-9-7-8-11(12)10-17-13/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyJYBGZWNTMKIDSF-UHFFFAOYSA-N
XLogP3.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethylpentan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 114178995
N-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363049
4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 65038636
N-(4-ethylphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106362781
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 114179100
N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363343
2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine
CID 106363567
N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363703
N-(3,3-dimethylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363664
N-(4-propoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363205
2-N-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 106363166
N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 114178991

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The IUPAC name of N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (CID 106363396) is N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The canonical SMILES for N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is CCC(CC)(CC)NC1=NC2CCCC2CS1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The InChIKey is JYBGZWNTMKIDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-4-14(5-2,6-3)16-13-15-12-9-7-8-11(12)10-17-13/h11-12H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine has a molecular weight of 254.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is sourced from PubChem (CID 106363396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).