9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine

C13H23N3O3S — CID 79504740

IUPAC9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCS(=O)(=O)C1CCCC12CN=C(N)N2CC1CCCO1
InChIInChI=1S/C13H23N3O3S/c1-20(17,18)11-5-2-6-13(11)9-15-12(14)16(13)8-10-4-3-7-19-10/h10-11H,2-9H2,1H3,(H2,14,15)
InChIKeyQCPVKQDTDDJQME-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.13
Rot. Bonds3

About 9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine

9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79504740) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79504740
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCS(=O)(=O)C1CCCC12CN=C(N)N2CC1CCCO1
InChIInChI=1S/C13H23N3O3S/c1-20(17,18)11-5-2-6-13(11)9-15-12(14)16(13)8-10-4-3-7-19-10/h10-11H,2-9H2,1H3,(H2,14,15)
InChIKeyQCPVKQDTDDJQME-UHFFFAOYSA-N
XLogP0.13
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 114080281
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
8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504736
8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79504811
5-cyclohexyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79504971
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
1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
CID 79499139
5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 115941748
1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65377356
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 9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79504740) is 9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine is CS(=O)(=O)C1CCCC12CN=C(N)N2CC1CCCO1.
What is the InChIKey of 9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is QCPVKQDTDDJQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-20(17,18)11-5-2-6-13(11)9-15-12(14)16(13)8-10-4-3-7-19-10/h10-11H,2-9H2,1H3,(H2,14,15).
What are the key properties of 9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 301.41 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79504740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).