(3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine

C23H28N2S — CID 1044000

IUPAC(3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine
SMILESCN(C)CC/C=C1/c2ccccc2Sc2ccc(N3CCCCC3)cc21
InChIInChI=1S/C23H28N2S/c1-24(2)14-8-10-19-20-9-4-5-11-22(20)26-23-13-12-18(17-21(19)23)25-15-6-3-7-16-25/h4-5,9-13,17H,3,6-8,14-16H2,1-2H3/b19-10-
InChIKeyAPMTYFLIVDYNSQ-GRSHGNNSSA-N
MW364.56 g/mol
LogP5.52
Rot. Bonds4

About (3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine

(3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine (PubChem CID 1044000) has the molecular formula C23H28N2S and a molecular weight of 364.56 g/mol. Its IUPAC name is (3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine.

Molecular Properties

Compound Name(3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine
PubChem CID1044000
Molecular FormulaC23H28N2S
Molecular Weight364.56 g/mol
Exact Mass364.20
IUPAC Name(3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine
SMILESCN(C)CC/C=C1/c2ccccc2Sc2ccc(N3CCCCC3)cc21
InChIInChI=1S/C23H28N2S/c1-24(2)14-8-10-19-20-9-4-5-11-22(20)26-23-13-12-18(17-21(19)23)25-15-6-3-7-16-25/h4-5,9-13,17H,3,6-8,14-16H2,1-2H3/b19-10-
InChIKeyAPMTYFLIVDYNSQ-GRSHGNNSSA-N
XLogP5.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.56
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

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Related Compounds

(3E)-N,N-dimethyl-3-(2-propan-2-ylthioxanthen-9-ylidene)propan-1-amine
CID 6444709
(9E)-9-[3-(dimethylamino)propylidene]-N,N-dimethylthioxanthene-2-sulfonamide;hydrochloride
CID 6445244
3-(2-chloro-3-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
CID 5054837
(3Z)-3-(2-chloro-6-fluorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine chloride
CID 53351519
(3E)-3-(2-chlorothioxanthen-9-ylidene)-N-methyl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]propan-1-amine
CID 44591135
(3E)-3-(2-chlorothioxanthen-9-ylidene)-N,N-diethylpropan-1-amine;hydrochloride
CID 6504516
(9E)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol
CID 826540
(3E)-3-(9-fluoro-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 827307
but-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-4-ol
CID 3060041
(3E)-3-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)-N,N-dimethylpropan-1-amine
CID 90474628
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
(3E)-3-(2-chloro-3,6-difluorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine chloride
CID 53351401

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine?
The IUPAC name of (3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine (CID 1044000) is (3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine.
What is the SMILES notation for (3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine?
The canonical SMILES for (3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine is CN(C)CC/C=C1/c2ccccc2Sc2ccc(N3CCCCC3)cc21.
What is the InChIKey of (3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine?
The InChIKey is APMTYFLIVDYNSQ-GRSHGNNSSA-N. The full InChI is InChI=1S/C23H28N2S/c1-24(2)14-8-10-19-20-9-4-5-11-22(20)26-23-13-12-18(17-21(19)23)25-15-6-3-7-16-25/h4-5,9-13,17H,3,6-8,14-16H2,1-2H3/b19-10-.
What are the key properties of (3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine?
(3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine has a molecular weight of 364.56 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N-dimethyl-3-(2-piperidin-1-ylthioxanthen-9-ylidene)propan-1-amine is sourced from PubChem (CID 1044000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).