6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile

C8H12N2OS — CID 164564419

IUPAC6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile
SMILESCNC1(C#N)CC2(CS(=O)C2)C1
InChIInChI=1S/C8H12N2OS/c1-10-8(4-9)2-7(3-8)5-12(11)6-7/h10H,2-3,5-6H2,1H3
InChIKeyMJSHGNOBTVUEES-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.01
Rot. Bonds1

About 6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile

6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile (PubChem CID 164564419) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile.

Molecular Properties

Compound Name6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile
PubChem CID164564419
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile
SMILESCNC1(C#N)CC2(CS(=O)C2)C1
InChIInChI=1S/C8H12N2OS/c1-10-8(4-9)2-7(3-8)5-12(11)6-7/h10H,2-3,5-6H2,1H3
InChIKeyMJSHGNOBTVUEES-UHFFFAOYSA-N
XLogP0.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12945445
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4-(methylamino)-1-propylpiperidine-4-carbonitrile
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4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038
1-(methylsulfamoylamino)cyclooctane-1-carbonitrile
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4-methyl-1-(methylamino)cycloheptane-1-carbonitrile
CID 65085150
4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile
CID 137347137
3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625408
1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
CID 117039603
1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79625510

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile?
The IUPAC name of 6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile (CID 164564419) is 6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile.
What is the SMILES notation for 6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile?
The canonical SMILES for 6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile is CNC1(C#N)CC2(CS(=O)C2)C1.
What is the InChIKey of 6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile?
The InChIKey is MJSHGNOBTVUEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-10-8(4-9)2-7(3-8)5-12(11)6-7/h10H,2-3,5-6H2,1H3.
What are the key properties of 6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile?
6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile has a molecular weight of 184.26 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-2-oxo-2λ4-thiaspiro[3.3]heptane-6-carbonitrile is sourced from PubChem (CID 164564419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).