(4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine

C12H19N3OS2 — CID 105170777

IUPAC(4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
SMILESCc1nnsc1C(N)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H19N3OS2/c1-8-11(18-15-14-8)10(13)9-2-4-16-12(6-9)3-5-17-7-12/h9-10H,2-7,13H2,1H3
InChIKeySLBHJLLWROFVQM-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.15
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine

(4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine (PubChem CID 105170777) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
PubChem CID105170777
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC Name(4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
SMILESCc1nnsc1C(N)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H19N3OS2/c1-8-11(18-15-14-8)10(13)9-2-4-16-12(6-9)3-5-17-7-12/h9-10H,2-7,13H2,1H3
InChIKeySLBHJLLWROFVQM-UHFFFAOYSA-N
XLogP2.15
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79914241
(3-bromo-5-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017770
(5-fluoro-2-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79913997
(3-methylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 82895864
2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 103516939
(4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169794
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79915157
(2-methyl-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 106755669
[(2,6-dimethyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107504849
(1-methoxy-3-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 116767455
[(5-methylpyrazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325943
(4-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017824

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine (CID 105170777) is (4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine is Cc1nnsc1C(N)C1CCOC2(CCSC2)C1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is SLBHJLLWROFVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-8-11(18-15-14-8)10(13)9-2-4-16-12(6-9)3-5-17-7-12/h9-10H,2-7,13H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
(4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 285.44 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 105170777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).