N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine

C15H21F2NO2S — CID 63355414

IUPACN-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1S(=O)(=O)C(F)F)C1CC1
InChIInChI=1S/C15H21F2NO2S/c1-2-9-18-13(11-7-8-11)10-12-5-3-4-6-14(12)21(19,20)15(16)17/h3-6,11,13,15,18H,2,7-10H2,1H3
InChIKeyPYVDFMNVECHALR-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.00
Rot. Bonds8

About N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine

N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine (PubChem CID 63355414) has the molecular formula C15H21F2NO2S and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine
PubChem CID63355414
Molecular FormulaC15H21F2NO2S
Molecular Weight317.40 g/mol
Exact Mass317.13
IUPAC NameN-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1S(=O)(=O)C(F)F)C1CC1
InChIInChI=1S/C15H21F2NO2S/c1-2-9-18-13(11-7-8-11)10-12-5-3-4-6-14(12)21(19,20)15(16)17/h3-6,11,13,15,18H,2,7-10H2,1H3
InChIKeyPYVDFMNVECHALR-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine (CID 63355414) is N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine is CCCNC(Cc1ccccc1S(=O)(=O)C(F)F)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine?
The InChIKey is PYVDFMNVECHALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2S/c1-2-9-18-13(11-7-8-11)10-12-5-3-4-6-14(12)21(19,20)15(16)17/h3-6,11,13,15,18H,2,7-10H2,1H3.
What are the key properties of N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine?
N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine has a molecular weight of 317.40 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63355414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).