1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol

C10H20FNS — CID 167009404

IUPAC1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol
SMILESCC(C)N1CCCC(F)(C(C)S)C1
InChIInChI=1S/C10H20FNS/c1-8(2)12-6-4-5-10(11,7-12)9(3)13/h8-9,13H,4-7H2,1-3H3
InChIKeyIWDSLMTUYUQQSB-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.52
Rot. Bonds2

About 1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol

1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol (PubChem CID 167009404) has the molecular formula C10H20FNS and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol.

Molecular Properties

Compound Name1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol
PubChem CID167009404
Molecular FormulaC10H20FNS
Molecular Weight205.34 g/mol
Exact Mass205.13
IUPAC Name1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol
SMILESCC(C)N1CCCC(F)(C(C)S)C1
InChIInChI=1S/C10H20FNS/c1-8(2)12-6-4-5-10(11,7-12)9(3)13/h8-9,13H,4-7H2,1-3H3
InChIKeyIWDSLMTUYUQQSB-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol?
The IUPAC name of 1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol (CID 167009404) is 1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol.
What is the SMILES notation for 1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol?
The canonical SMILES for 1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol is CC(C)N1CCCC(F)(C(C)S)C1.
What is the InChIKey of 1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol?
The InChIKey is IWDSLMTUYUQQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNS/c1-8(2)12-6-4-5-10(11,7-12)9(3)13/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol?
1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol has a molecular weight of 205.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-1-propan-2-ylpiperidin-3-yl)ethanethiol is sourced from PubChem (CID 167009404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).