N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C12H22ClF2N3O3S — CID 119324843

IUPACN-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)C1CCCN1
InChIInChI=1S/C12H21F2N3O3S.ClH/c13-12(14)21(19,20)17-6-3-9(4-7-17)8-16-11(18)10-2-1-5-15-10;/h9-10,12,15H,1-8H2,(H,16,18);1H
InChIKeyJKFFHIXCLGALOV-UHFFFAOYSA-N
MW361.84 g/mol
LogP0.54
Rot. Bonds5

About N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119324843) has the molecular formula C12H22ClF2N3O3S and a molecular weight of 361.84 g/mol. Its IUPAC name is N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119324843
Molecular FormulaC12H22ClF2N3O3S
Molecular Weight361.84 g/mol
Exact Mass361.10
IUPAC NameN-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)C1CCCN1
InChIInChI=1S/C12H21F2N3O3S.ClH/c13-12(14)21(19,20)17-6-3-9(4-7-17)8-16-11(18)10-2-1-5-15-10;/h9-10,12,15H,1-8H2,(H,16,18);1H
InChIKeyJKFFHIXCLGALOV-UHFFFAOYSA-N
XLogP0.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119324839
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 103814111
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119336677
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300473
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide
CID 54898994
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 84583924
(2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide
CID 119324850
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 103814109
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 54927244
(2R)-N-(cyclopropylmethyl)azetidine-2-carboxamide;hydrochloride
CID 130670141

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119324843) is N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)C1CCCN1.
What is the InChIKey of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is JKFFHIXCLGALOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3O3S.ClH/c13-12(14)21(19,20)17-6-3-9(4-7-17)8-16-11(18)10-2-1-5-15-10;/h9-10,12,15H,1-8H2,(H,16,18);1H.
What are the key properties of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 361.84 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119324843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).