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

C12H20N2OS — CID 106363309

IUPACN-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESC1COCC(NC2=NC3CCCC3CS2)C1
InChIInChI=1S/C12H20N2OS/c1-3-9-8-16-12(14-11(9)5-1)13-10-4-2-6-15-7-10/h9-11H,1-8H2,(H,13,14)
InChIKeyCLTSWWQTVKGVEH-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.03
Rot. Bonds1

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

N-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (PubChem CID 106363309) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.

Molecular Properties

Compound NameN-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
PubChem CID106363309
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESC1COCC(NC2=NC3CCCC3CS2)C1
InChIInChI=1S/C12H20N2OS/c1-3-9-8-16-12(14-11(9)5-1)13-10-4-2-6-15-7-10/h9-11H,1-8H2,(H,13,14)
InChIKeyCLTSWWQTVKGVEH-UHFFFAOYSA-N
XLogP2.03
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363714
N-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 80713434
N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363216
N-(3-ethylpentan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 114178995
N-(3-cyclopropylcyclohexyl)oxan-3-amine
CID 64623380
3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine
CID 130627526
N-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 79503427
2-[4-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetonitrile
CID 106363191
5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine
CID 127015469
(3R)-N-methyloxan-3-amine
CID 58327948
N-(2-bromo-4-fluorophenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106362823
3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine
CID 130639694

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The IUPAC name of N-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (CID 106363309) is N-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.
What is the SMILES notation for N-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The canonical SMILES for N-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is C1COCC(NC2=NC3CCCC3CS2)C1.
What is the InChIKey of N-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The InChIKey is CLTSWWQTVKGVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-9-8-16-12(14-11(9)5-1)13-10-4-2-6-15-7-10/h9-11H,1-8H2,(H,13,14).
What are the key properties of N-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
N-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine has a molecular weight of 240.37 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is sourced from PubChem (CID 106363309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).