(7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone

C16H14ClNOS2 — CID 23602784

IUPAC(7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c(s1)-c1ccc(Cl)cc1SC2)N1CCCC1
InChIInChI=1S/C16H14ClNOS2/c17-11-3-4-12-13(8-11)20-9-10-7-14(21-15(10)12)16(19)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6,9H2
InChIKeyIQIJXRGNMKMZRQ-UHFFFAOYSA-N
MW335.88 g/mol
LogP4.91
Rot. Bonds1

About (7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone

(7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 23602784) has the molecular formula C16H14ClNOS2 and a molecular weight of 335.88 g/mol. Its IUPAC name is (7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID23602784
Molecular FormulaC16H14ClNOS2
Molecular Weight335.88 g/mol
Exact Mass335.02
IUPAC Name(7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c(s1)-c1ccc(Cl)cc1SC2)N1CCCC1
InChIInChI=1S/C16H14ClNOS2/c17-11-3-4-12-13(8-11)20-9-10-7-14(21-15(10)12)16(19)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6,9H2
InChIKeyIQIJXRGNMKMZRQ-UHFFFAOYSA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 23602788
azepan-1-yl-(7-chloro-5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone
CID 23602624
7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602879
7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602831
(4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone
CID 20889014
7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602775
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(8-chloro-4H-thieno[3,2-c]thiochromen-2-yl)methanone
CID 22266126
7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602873
7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602863
[4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(4H-thieno[3,2-c]thiochromen-2-yl)methanone
CID 170043225
N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 20889036
7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602895

Frequently Asked Questions

What is the IUPAC name of (7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone (CID 23602784) is (7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone is O=C(c1cc2c(s1)-c1ccc(Cl)cc1SC2)N1CCCC1.
What is the InChIKey of (7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is IQIJXRGNMKMZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS2/c17-11-3-4-12-13(8-11)20-9-10-7-14(21-15(10)12)16(19)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6,9H2.
What are the key properties of (7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone?
(7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 335.88 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 23602784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).