(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone

C21H29ClN2OS — CID 18914960

IUPAC(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone
SMILESO=C(C1CCCc2cc(Cl)ccc21)N1CCSCC1CN1CCCCC1
InChIInChI=1S/C21H29ClN2OS/c22-17-7-8-19-16(13-17)5-4-6-20(19)21(25)24-11-12-26-15-18(24)14-23-9-2-1-3-10-23/h7-8,13,18,20H,1-6,9-12,14-15H2
InChIKeyXIHPAMDCMSFEAY-UHFFFAOYSA-N
MW393.00 g/mol
LogP4.19
Rot. Bonds3

About (6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone

(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone (PubChem CID 18914960) has the molecular formula C21H29ClN2OS and a molecular weight of 393.00 g/mol. Its IUPAC name is (6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone
PubChem CID18914960
Molecular FormulaC21H29ClN2OS
Molecular Weight393.00 g/mol
Exact Mass392.17
IUPAC Name(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone
SMILESO=C(C1CCCc2cc(Cl)ccc21)N1CCSCC1CN1CCCCC1
InChIInChI=1S/C21H29ClN2OS/c22-17-7-8-19-16(13-17)5-4-6-20(19)21(25)24-11-12-26-15-18(24)14-23-9-2-1-3-10-23/h7-8,13,18,20H,1-6,9-12,14-15H2
InChIKeyXIHPAMDCMSFEAY-UHFFFAOYSA-N
XLogP4.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.00
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone?
The IUPAC name of (6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone (CID 18914960) is (6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone.
What is the SMILES notation for (6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone?
The canonical SMILES for (6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone is O=C(C1CCCc2cc(Cl)ccc21)N1CCSCC1CN1CCCCC1.
What is the InChIKey of (6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone?
The InChIKey is XIHPAMDCMSFEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2OS/c22-17-7-8-19-16(13-17)5-4-6-20(19)21(25)24-11-12-26-15-18(24)14-23-9-2-1-3-10-23/h7-8,13,18,20H,1-6,9-12,14-15H2.
What are the key properties of (6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone?
(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone has a molecular weight of 393.00 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone is sourced from PubChem (CID 18914960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).