3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide

C15H23FN2O3S — CID 134541357

IUPAC3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCCc1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C15H23FN2O3S/c16-14-5-4-12(10-15(14)21-11-13-2-3-13)6-8-18-22(19,20)9-1-7-17/h4-5,10,13,18H,1-3,6-9,11,17H2
InChIKeyPETWUWGCDVFRPN-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.43
Rot. Bonds10

About 3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide

3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide (PubChem CID 134541357) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide
PubChem CID134541357
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCCc1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C15H23FN2O3S/c16-14-5-4-12(10-15(14)21-11-13-2-3-13)6-8-18-22(19,20)9-1-7-17/h4-5,10,13,18H,1-3,6-9,11,17H2
InChIKeyPETWUWGCDVFRPN-UHFFFAOYSA-N
XLogP1.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide?
The IUPAC name of 3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide (CID 134541357) is 3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide is NCCCS(=O)(=O)NCCc1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide?
The InChIKey is PETWUWGCDVFRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c16-14-5-4-12(10-15(14)21-11-13-2-3-13)6-8-18-22(19,20)9-1-7-17/h4-5,10,13,18H,1-3,6-9,11,17H2.
What are the key properties of 3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide?
3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide has a molecular weight of 330.43 g/mol, XLogP of 1.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 134541357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).