(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine

C14H18FN5S — CID 29276029

IUPAC(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(Sc2nnnn2C2CCCC2)c(F)c1
InChIInChI=1S/C14H18FN5S/c1-9(16)10-6-7-13(12(15)8-10)21-14-17-18-19-20(14)11-4-2-3-5-11/h6-9,11H,2-5,16H2,1H3/t9-/m0/s1
InChIKeyDSUYCDZVJCCLHM-VIFPVBQESA-N
MW307.40 g/mol
LogP3.10
Rot. Bonds4

About (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine

(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine (PubChem CID 29276029) has the molecular formula C14H18FN5S and a molecular weight of 307.40 g/mol. Its IUPAC name is (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine
PubChem CID29276029
Molecular FormulaC14H18FN5S
Molecular Weight307.40 g/mol
Exact Mass307.13
IUPAC Name(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(Sc2nnnn2C2CCCC2)c(F)c1
InChIInChI=1S/C14H18FN5S/c1-9(16)10-6-7-13(12(15)8-10)21-14-17-18-19-20(14)11-4-2-3-5-11/h6-9,11H,2-5,16H2,1H3/t9-/m0/s1
InChIKeyDSUYCDZVJCCLHM-VIFPVBQESA-N
XLogP3.10
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine (CID 29276029) is (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine is C[C@H](N)c1ccc(Sc2nnnn2C2CCCC2)c(F)c1.
What is the InChIKey of (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine?
The InChIKey is DSUYCDZVJCCLHM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18FN5S/c1-9(16)10-6-7-13(12(15)8-10)21-14-17-18-19-20(14)11-4-2-3-5-11/h6-9,11H,2-5,16H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine?
(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine has a molecular weight of 307.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine is sourced from PubChem (CID 29276029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).