N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride

C14H27ClF3N3O2S — CID 120903377

IUPACN-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
SMILESCC1(CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)CCNC1.Cl
InChIInChI=1S/C14H26F3N3O2S.ClH/c1-13(5-6-18-9-13)10-19-7-3-12(4-8-19)20(23(2,21)22)11-14(15,16)17;/h12,18H,3-11H2,1-2H3;1H
InChIKeyIAGJNONIRXMRRK-UHFFFAOYSA-N
MW393.90 g/mol
LogP1.70
Rot. Bonds5

About N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride

N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride (PubChem CID 120903377) has the molecular formula C14H27ClF3N3O2S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
PubChem CID120903377
Molecular FormulaC14H27ClF3N3O2S
Molecular Weight393.90 g/mol
Exact Mass393.15
IUPAC NameN-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
SMILESCC1(CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)CCNC1.Cl
InChIInChI=1S/C14H26F3N3O2S.ClH/c1-13(5-6-18-9-13)10-19-7-3-12(4-8-19)20(23(2,21)22)11-14(15,16)17;/h12,18H,3-11H2,1-2H3;1H
InChIKeyIAGJNONIRXMRRK-UHFFFAOYSA-N
XLogP1.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride (CID 120903377) is N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride is CC1(CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)CCNC1.Cl.
What is the InChIKey of N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The InChIKey is IAGJNONIRXMRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O2S.ClH/c1-13(5-6-18-9-13)10-19-7-3-12(4-8-19)20(23(2,21)22)11-14(15,16)17;/h12,18H,3-11H2,1-2H3;1H.
What are the key properties of N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride has a molecular weight of 393.90 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 120903377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).