N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine

C16H24N2S — CID 105415014

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCN(C)C1(CNC2CCSc3ccccc32)CCC1
InChIInChI=1S/C16H24N2S/c1-18(2)16(9-5-10-16)12-17-14-8-11-19-15-7-4-3-6-13(14)15/h3-4,6-7,14,17H,5,8-12H2,1-2H3
InChIKeyXQXAFLQIXCWHNJ-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.30
Rot. Bonds4

About N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 105415014) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID105415014
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCN(C)C1(CNC2CCSc3ccccc32)CCC1
InChIInChI=1S/C16H24N2S/c1-18(2)16(9-5-10-16)12-17-14-8-11-19-15-7-4-3-6-13(14)15/h3-4,6-7,14,17H,5,8-12H2,1-2H3
InChIKeyXQXAFLQIXCWHNJ-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-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

10-Piperazino-10,11-dihydrodibenzo-[b,f]thiepin
CID 199699
N-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine
CID 19107039
N-Ethyl-6,6a,7,8,9,10-hexahydro-10aH-dibenzo[b,d]thiopyran-10a-amine
CID 19107100
1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N-methylazetidin-3-amine
CID 12489146
(3R,5R)-3-methyl-5-phenyl-3-propyl-4,5-dihydro-2H-1,4-benzothiazepine
CID 44531139
2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1)
CID 3046337
2-Butyl-4,4-diethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1)
CID 3046339
2-Benzyl-4,4-diethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1)
CID 3046341
1,2-Ethanediamine, N'-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N,N-dimethyl-, dihydrochloride, hemihydrate
CID 3088239
N4-Benzyl-2-(methylthioethyl)piperazine
CID 24948382
N',N'-dimethyl-N-[(2-phenylsulfanylphenyl)methyl]ethane-1,2-diamine
CID 137631597
N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 137650366

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 105415014) is N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine is CN(C)C1(CNC2CCSc3ccccc32)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is XQXAFLQIXCWHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-18(2)16(9-5-10-16)12-17-14-8-11-19-15-7-4-3-6-13(14)15/h3-4,6-7,14,17H,5,8-12H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 276.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 105415014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).