1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene]

C15H21NS — CID 115420203

IUPAC1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene]
SMILESCC1CNC2(CCC(C)c3ccccc32)SC1
InChIInChI=1S/C15H21NS/c1-11-9-16-15(17-10-11)8-7-12(2)13-5-3-4-6-14(13)15/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyBEMNLTRYHJYIDP-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.71
Rot. Bonds

About 1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene]

1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene] (PubChem CID 115420203) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene].

Molecular Properties

Compound Name1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene]
PubChem CID115420203
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene]
SMILESCC1CNC2(CCC(C)c3ccccc32)SC1
InChIInChI=1S/C15H21NS/c1-11-9-16-15(17-10-11)8-7-12(2)13-5-3-4-6-14(13)15/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyBEMNLTRYHJYIDP-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene] 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

(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-morpholine]
CID 115420704
1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 113306025
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]
CID 115420397
1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine
CID 115420947
1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419622
1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 116769560
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
(4-methyl-1-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 115418582
2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine
CID 134961616
2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
CID 115420429

Frequently Asked Questions

What is the IUPAC name of 1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene]?
The IUPAC name of 1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene] (CID 115420203) is 1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene].
What is the SMILES notation for 1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene]?
The canonical SMILES for 1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene] is CC1CNC2(CCC(C)c3ccccc32)SC1.
What is the InChIKey of 1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene]?
The InChIKey is BEMNLTRYHJYIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-11-9-16-15(17-10-11)8-7-12(2)13-5-3-4-6-14(13)15/h3-6,11-12,16H,7-10H2,1-2H3.
What are the key properties of 1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene]?
1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene] has a molecular weight of 247.41 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene] is sourced from PubChem (CID 115420203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).