1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile

C19H24N2O2S — CID 164639285

IUPAC1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CS(=O)(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H24N2O2S/c20-13-18(11-12-18)15-24(22,23)21-14-19(9-5-2-6-10-19)17(21)16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-12,14-15H2/t17-/m1/s1
InChIKeyGNBFEZSNSAUCDI-QGZVFWFLSA-N
MW344.48 g/mol
LogP3.63
Rot. Bonds4

About 1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile

1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile (PubChem CID 164639285) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile
PubChem CID164639285
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CS(=O)(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H24N2O2S/c20-13-18(11-12-18)15-24(22,23)21-14-19(9-5-2-6-10-19)17(21)16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-12,14-15H2/t17-/m1/s1
InChIKeyGNBFEZSNSAUCDI-QGZVFWFLSA-N
XLogP3.63
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 3235455
1-Benzhydryl-1-ethyl-3-methylazetidin-1-ium-3-carbonitrile;trifluoromethanesulfonate
CID 176439008
(3R,4S)-2-cyclohexyl-3-(4-methylphenyl)-4-phenylthiazetidine 1,1-dioxide
CID 10893631
(3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide
CID 15247386
(3R,4S)-2-benzyl-3,4-diphenylthiazetidine 1,1-dioxide
CID 102525311
(3R,4S)-2-cyclohexyl-4-methyl-3-(4-methylphenyl)thiazetidine 1,1-dioxide
CID 102525316
N-butyl-1-cyano-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 97243814
1-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carbonitrile
CID 118232684
1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropane-1-carbonitrile
CID 129114704
1-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropane-1-carbonitrile
CID 129114995
1-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]cyclopropane-1-carbonitrile
CID 139542150
1-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-2,5-difluorophenyl]cyclopropane-1-carbonitrile
CID 139542246

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile (CID 164639285) is 1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile is N#CC1(CS(=O)(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)CC1.
What is the InChIKey of 1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile?
The InChIKey is GNBFEZSNSAUCDI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O2S/c20-13-18(11-12-18)15-24(22,23)21-14-19(9-5-2-6-10-19)17(21)16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-12,14-15H2/t17-/m1/s1.
What are the key properties of 1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile?
1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile has a molecular weight of 344.48 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 164639285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).