N-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide

C14H21FN2O3S — CID 63246551

IUPACN-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESNCCCN(c1ccc(F)cc1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H21FN2O3S/c15-12-4-6-13(7-5-12)17(9-2-8-16)21(18,19)11-14-3-1-10-20-14/h4-7,14H,1-3,8-11,16H2
InChIKeyUINVOYUPVATAQW-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.49
Rot. Bonds7

About N-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide

N-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246551) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246551
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESNCCCN(c1ccc(F)cc1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H21FN2O3S/c15-12-4-6-13(7-5-12)17(9-2-8-16)21(18,19)11-14-3-1-10-20-14/h4-7,14H,1-3,8-11,16H2
InChIKeyUINVOYUPVATAQW-UHFFFAOYSA-N
XLogP1.49
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide (CID 63246551) is N-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide is NCCCN(c1ccc(F)cc1)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is UINVOYUPVATAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c15-12-4-6-13(7-5-12)17(9-2-8-16)21(18,19)11-14-3-1-10-20-14/h4-7,14H,1-3,8-11,16H2.
What are the key properties of N-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).