1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine

C12H21N5S — CID 86801024

IUPAC1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine
SMILESC1CCN(CCCSc2nnnn2C2CC2)CC1
InChIInChI=1S/C12H21N5S/c1-2-7-16(8-3-1)9-4-10-18-12-13-14-15-17(12)11-5-6-11/h11H,1-10H2
InChIKeyZKJLOFWGHNOGNS-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.98
Rot. Bonds6

About 1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine

1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine (PubChem CID 86801024) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine.

Molecular Properties

Compound Name1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine
PubChem CID86801024
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine
SMILESC1CCN(CCCSc2nnnn2C2CC2)CC1
InChIInChI=1S/C12H21N5S/c1-2-7-16(8-3-1)9-4-10-18-12-13-14-15-17(12)11-5-6-11/h11H,1-10H2
InChIKeyZKJLOFWGHNOGNS-UHFFFAOYSA-N
XLogP1.98
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine?
The IUPAC name of 1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine (CID 86801024) is 1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine.
What is the SMILES notation for 1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine?
The canonical SMILES for 1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine is C1CCN(CCCSc2nnnn2C2CC2)CC1.
What is the InChIKey of 1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine?
The InChIKey is ZKJLOFWGHNOGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-2-7-16(8-3-1)9-4-10-18-12-13-14-15-17(12)11-5-6-11/h11H,1-10H2.
What are the key properties of 1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine?
1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine has a molecular weight of 267.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine is sourced from PubChem (CID 86801024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).