1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide

C14H25N3O2S — CID 86807125

IUPAC1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
SMILESCC1CCCN(CC(C)NS(=O)(=O)CC2(C#N)CC2)C1
InChIInChI=1S/C14H25N3O2S/c1-12-4-3-7-17(8-12)9-13(2)16-20(18,19)11-14(10-15)5-6-14/h12-13,16H,3-9,11H2,1-2H3
InChIKeyCLNLXOUBQRHQBO-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.33
Rot. Bonds6

About 1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide

1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide (PubChem CID 86807125) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
PubChem CID86807125
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
SMILESCC1CCCN(CC(C)NS(=O)(=O)CC2(C#N)CC2)C1
InChIInChI=1S/C14H25N3O2S/c1-12-4-3-7-17(8-12)9-13(2)16-20(18,19)11-14(10-15)5-6-14/h12-13,16H,3-9,11H2,1-2H3
InChIKeyCLNLXOUBQRHQBO-UHFFFAOYSA-N
XLogP1.33
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1-isopropylpiperidin-4-yl)methyl)cyclopropanesulfonamide
CID 45558505
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-fluoropropane-1-sulfonamide
CID 71970292
N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide
CID 97600100
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide
CID 97600102
N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide
CID 99107694
N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide
CID 99848916
N-(1-propan-2-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 127905355
2-[1-ethylsulfonyl-3-[4-[[(1R,2R)-2-methylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
CID 129100829
N-(1-methylpiperidin-3-yl)cyclopropanesulfonamide
CID 170367336
N-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide
CID 54971975
N-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide
CID 54972021
N-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide
CID 54972331

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide?
The IUPAC name of 1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide (CID 86807125) is 1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide?
The canonical SMILES for 1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide is CC1CCCN(CC(C)NS(=O)(=O)CC2(C#N)CC2)C1.
What is the InChIKey of 1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide?
The InChIKey is CLNLXOUBQRHQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-12-4-3-7-17(8-12)9-13(2)16-20(18,19)11-14(10-15)5-6-14/h12-13,16H,3-9,11H2,1-2H3.
What are the key properties of 1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide?
1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 86807125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).