1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide

C15H21FN2OS — CID 119268295

IUPAC1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCCCSc2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H21FN2OS/c16-12-4-6-13(7-5-12)20-11-3-10-18-14(19)15(17)8-1-2-9-15/h4-7H,1-3,8-11,17H2,(H,18,19)
InChIKeyMXQIBFKEFAQZSH-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.70
Rot. Bonds6

About 1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide

1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide (PubChem CID 119268295) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide
PubChem CID119268295
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCCCSc2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H21FN2OS/c16-12-4-6-13(7-5-12)20-11-3-10-18-14(19)15(17)8-1-2-9-15/h4-7H,1-3,8-11,17H2,(H,18,19)
InChIKeyMXQIBFKEFAQZSH-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide (CID 119268295) is 1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide is NC1(C(=O)NCCCSc2ccc(F)cc2)CCCC1.
What is the InChIKey of 1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide?
The InChIKey is MXQIBFKEFAQZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c16-12-4-6-13(7-5-12)20-11-3-10-18-14(19)15(17)8-1-2-9-15/h4-7H,1-3,8-11,17H2,(H,18,19).
What are the key properties of 1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide?
1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119268295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).