5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine

C14H16ClN3OS2 — CID 79900484

IUPAC5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1ccc2nsnc2c1NC1CCOC2(CCSC2)C1
InChIInChI=1S/C14H16ClN3OS2/c15-10-1-2-11-13(18-21-17-11)12(10)16-9-3-5-19-14(7-9)4-6-20-8-14/h1-2,9,16H,3-8H2
InChIKeyHFJNJHSRUFOHGL-UHFFFAOYSA-N
MW341.89 g/mol
LogP3.81
Rot. Bonds2

About 5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine

5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 79900484) has the molecular formula C14H16ClN3OS2 and a molecular weight of 341.89 g/mol. Its IUPAC name is 5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine
PubChem CID79900484
Molecular FormulaC14H16ClN3OS2
Molecular Weight341.89 g/mol
Exact Mass341.04
IUPAC Name5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1ccc2nsnc2c1NC1CCOC2(CCSC2)C1
InChIInChI=1S/C14H16ClN3OS2/c15-10-1-2-11-13(18-21-17-11)12(10)16-9-3-5-19-14(7-9)4-6-20-8-14/h1-2,9,16H,3-8H2
InChIKeyHFJNJHSRUFOHGL-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine with MolForge

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Related Compounds

6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile
CID 127602951
N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107621556
5-bromo-N-[(5R,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97235132
2-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzonitrile
CID 79898190
N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897787
N-(4-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897657
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine
CID 75482481
N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 107528319
N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107599402
4-chloro-2-methyl-5-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridazin-3-one
CID 97324840
4-chloro-2-methyl-5-[[(5S,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridazin-3-one
CID 97324839
N-(2,4,5-trichlorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79901635

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine (CID 79900484) is 5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine is Clc1ccc2nsnc2c1NC1CCOC2(CCSC2)C1.
What is the InChIKey of 5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is HFJNJHSRUFOHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS2/c15-10-1-2-11-13(18-21-17-11)12(10)16-9-3-5-19-14(7-9)4-6-20-8-14/h1-2,9,16H,3-8H2.
What are the key properties of 5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 341.89 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 79900484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).