N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine

C10H18F2N2O2S — CID 63878433

IUPACN-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine
SMILESO=S(=O)(C(F)F)N1CCCCC1CNC1CC1
InChIInChI=1S/C10H18F2N2O2S/c11-10(12)17(15,16)14-6-2-1-3-9(14)7-13-8-4-5-8/h8-10,13H,1-7H2
InChIKeyDLEIFNUFPAZIRQ-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.15
Rot. Bonds5

About N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine

N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine (PubChem CID 63878433) has the molecular formula C10H18F2N2O2S and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine
PubChem CID63878433
Molecular FormulaC10H18F2N2O2S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC NameN-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine
SMILESO=S(=O)(C(F)F)N1CCCCC1CNC1CC1
InChIInChI=1S/C10H18F2N2O2S/c11-10(12)17(15,16)14-6-2-1-3-9(14)7-13-8-4-5-8/h8-10,13H,1-7H2
InChIKeyDLEIFNUFPAZIRQ-UHFFFAOYSA-N
XLogP1.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide
CID 106074286
2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide
CID 106080127
2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide
CID 106032299
2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide
CID 106088999
2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine
CID 63400433
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine
CID 63879299
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
CID 81063874
1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone
CID 63844311
N-[[1-(cyclopropylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62580411
N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
CID 63855296
N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62592004
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63849232

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine (CID 63878433) is N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine is O=S(=O)(C(F)F)N1CCCCC1CNC1CC1.
What is the InChIKey of N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine?
The InChIKey is DLEIFNUFPAZIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2S/c11-10(12)17(15,16)14-6-2-1-3-9(14)7-13-8-4-5-8/h8-10,13H,1-7H2.
What are the key properties of N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine?
N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine has a molecular weight of 268.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63878433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).