N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine

C14H20F2N2O2S — CID 63304136

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(c1ccccc1S(=O)(=O)C(F)F)C1CCNC1
InChIInChI=1S/C14H20F2N2O2S/c1-2-9-18(11-7-8-17-10-11)12-5-3-4-6-13(12)21(19,20)14(15)16/h3-6,11,14,17H,2,7-10H2,1H3
InChIKeyOUPGEBCBDADABX-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.26
Rot. Bonds6

About N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine

N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine (PubChem CID 63304136) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine
PubChem CID63304136
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(c1ccccc1S(=O)(=O)C(F)F)C1CCNC1
InChIInChI=1S/C14H20F2N2O2S/c1-2-9-18(11-7-8-17-10-11)12-5-3-4-6-13(12)21(19,20)14(15)16/h3-6,11,14,17H,2,7-10H2,1H3
InChIKeyOUPGEBCBDADABX-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine
CID 63304180
N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide
CID 63636485
N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine
CID 63643765
2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol
CID 102868971
2-[propyl(pyrrolidin-3-yl)amino]benzamide
CID 63304357
2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide
CID 66215341
2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976534
N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline
CID 133398357
2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530888
3-methyl-N-propyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 63304047
3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119530492
1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine
CID 63304311

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine (CID 63304136) is N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine is CCCN(c1ccccc1S(=O)(=O)C(F)F)C1CCNC1.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine?
The InChIKey is OUPGEBCBDADABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-2-9-18(11-7-8-17-10-11)12-5-3-4-6-13(12)21(19,20)14(15)16/h3-6,11,14,17H,2,7-10H2,1H3.
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine?
N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine has a molecular weight of 318.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63304136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).