(3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine

C20H19NS — CID 16638510

IUPAC(3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine
SMILESCN(C)CC/C=C1/c2ccccc2-c2sc3ccccc3c21
InChIInChI=1S/C20H19NS/c1-21(2)13-7-11-15-14-8-3-4-9-16(14)20-19(15)17-10-5-6-12-18(17)22-20/h3-6,8-12H,7,13H2,1-2H3/b15-11-
InChIKeyFPGCHHYUURNIOV-PTNGSMBKSA-N
MW305.45 g/mol
LogP5.27
Rot. Bonds3

About (3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine

(3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine (PubChem CID 16638510) has the molecular formula C20H19NS and a molecular weight of 305.45 g/mol. Its IUPAC name is (3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name(3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine
PubChem CID16638510
Molecular FormulaC20H19NS
Molecular Weight305.45 g/mol
Exact Mass305.12
IUPAC Name(3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine
SMILESCN(C)CC/C=C1/c2ccccc2-c2sc3ccccc3c21
InChIInChI=1S/C20H19NS/c1-21(2)13-7-11-15-14-8-3-4-9-16(14)20-19(15)17-10-5-6-12-18(17)22-20/h3-6,8-12H,7,13H2,1-2H3/b15-11-
InChIKeyFPGCHHYUURNIOV-PTNGSMBKSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.45
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(10Z)-10-benzylideneindeno[1,2-b][1]benzothiole
CID 177433262
bis(N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine);hydrochloride
CID 69259794
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine chloride
CID 18415560
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;methane
CID 117064953
(3Z)-N,N-dimethyl-3-(3-oxo-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine
CID 20839799
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;sulfuryl dichloride
CID 19964142
3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine
CID 1203583
(3Z)-3-(5-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)-N,N-dimethylpropan-1-amine
CID 143806381
N,N-dimethyl-3-(2-methylsulfanylthioxanthen-9-ylidene)propan-1-amine
CID 172742944
2-[(2E)-2-[3-(dimethylamino)propylidene]-4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-5-yl]acetic acid
CID 67166209
(3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 6857911
(3Z)-N,N-dimethyl-3-(5-methyl-6H-benzo[c][1]benzazepin-11-ylidene)propan-1-amine
CID 10062940

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine?
The IUPAC name of (3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine (CID 16638510) is (3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine.
What is the SMILES notation for (3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine?
The canonical SMILES for (3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine is CN(C)CC/C=C1/c2ccccc2-c2sc3ccccc3c21.
What is the InChIKey of (3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine?
The InChIKey is FPGCHHYUURNIOV-PTNGSMBKSA-N. The full InChI is InChI=1S/C20H19NS/c1-21(2)13-7-11-15-14-8-3-4-9-16(14)20-19(15)17-10-5-6-12-18(17)22-20/h3-6,8-12H,7,13H2,1-2H3/b15-11-.
What are the key properties of (3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine?
(3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine has a molecular weight of 305.45 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-indeno[1,2-b][1]benzothiol-10-ylidene-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 16638510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).