1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile

C20H29N3S — CID 118661928

IUPAC1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile
SMILESCN(C)C1(c2cccs2)CCC2(CCN(CC3(C#N)CC3)C2)CC1
InChIInChI=1S/C20H29N3S/c1-22(2)20(17-4-3-13-24-17)9-7-18(8-10-20)11-12-23(15-18)16-19(14-21)5-6-19/h3-4,13H,5-12,15-16H2,1-2H3
InChIKeyLTVKXAJBUKNVGC-UHFFFAOYSA-N
MW343.54 g/mol
LogP4.07
Rot. Bonds4

About 1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile

1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile (PubChem CID 118661928) has the molecular formula C20H29N3S and a molecular weight of 343.54 g/mol. Its IUPAC name is 1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile
PubChem CID118661928
Molecular FormulaC20H29N3S
Molecular Weight343.54 g/mol
Exact Mass343.21
IUPAC Name1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile
SMILESCN(C)C1(c2cccs2)CCC2(CCN(CC3(C#N)CC3)C2)CC1
InChIInChI=1S/C20H29N3S/c1-22(2)20(17-4-3-13-24-17)9-7-18(8-10-20)11-12-23(15-18)16-19(14-21)5-6-19/h3-4,13H,5-12,15-16H2,1-2H3
InChIKeyLTVKXAJBUKNVGC-UHFFFAOYSA-N
XLogP4.07
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile (CID 118661928) is 1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile is CN(C)C1(c2cccs2)CCC2(CCN(CC3(C#N)CC3)C2)CC1.
What is the InChIKey of 1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile?
The InChIKey is LTVKXAJBUKNVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3S/c1-22(2)20(17-4-3-13-24-17)9-7-18(8-10-20)11-12-23(15-18)16-19(14-21)5-6-19/h3-4,13H,5-12,15-16H2,1-2H3.
What are the key properties of 1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile?
1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile has a molecular weight of 343.54 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 118661928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).