6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

C12H21N3OS — CID 114080281

IUPAC6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC1SCCC12CN=C(N)N2CC1CCCO1
InChIInChI=1S/C12H21N3OS/c1-9-12(4-6-17-9)8-14-11(13)15(12)7-10-3-2-5-16-10/h9-10H,2-8H2,1H3,(H2,13,14)
InChIKeyXFUBQEVUUCIBDK-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.06
Rot. Bonds2

About 6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 114080281) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID114080281
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC1SCCC12CN=C(N)N2CC1CCCO1
InChIInChI=1S/C12H21N3OS/c1-9-12(4-6-17-9)8-14-11(13)15(12)7-10-3-2-5-16-10/h9-10H,2-8H2,1H3,(H2,13,14)
InChIKeyXFUBQEVUUCIBDK-UHFFFAOYSA-N
XLogP1.06
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504740
8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504736
1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505489
8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79505483
5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79504816
7,9-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504734
5-cyclohexyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79504971
8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79504811
1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
CID 79499139
1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79951497
5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 115941748
5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 82776453

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 114080281) is 6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is CC1SCCC12CN=C(N)N2CC1CCCO1.
What is the InChIKey of 6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is XFUBQEVUUCIBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9-12(4-6-17-9)8-14-11(13)15(12)7-10-3-2-5-16-10/h9-10H,2-8H2,1H3,(H2,13,14).
What are the key properties of 6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 255.39 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 114080281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).