4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol

C10H18N4OS — CID 43510108

IUPAC4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol
SMILESOCCCCSc1nnnn1C1CCCC1
InChIInChI=1S/C10H18N4OS/c15-7-3-4-8-16-10-11-12-13-14(10)9-5-1-2-6-9/h9,15H,1-8H2
InChIKeyNNUDKENOOOSTRJ-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.65
Rot. Bonds6

About 4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol

4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol (PubChem CID 43510108) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol
PubChem CID43510108
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol
SMILESOCCCCSc1nnnn1C1CCCC1
InChIInChI=1S/C10H18N4OS/c15-7-3-4-8-16-10-11-12-13-14(10)9-5-1-2-6-9/h9,15H,1-8H2
InChIKeyNNUDKENOOOSTRJ-UHFFFAOYSA-N
XLogP1.65
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
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 4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol?
The IUPAC name of 4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol (CID 43510108) is 4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol.
What is the SMILES notation for 4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol?
The canonical SMILES for 4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol is OCCCCSc1nnnn1C1CCCC1.
What is the InChIKey of 4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol?
The InChIKey is NNUDKENOOOSTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c15-7-3-4-8-16-10-11-12-13-14(10)9-5-1-2-6-9/h9,15H,1-8H2.
What are the key properties of 4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol?
4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol has a molecular weight of 242.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol is sourced from PubChem (CID 43510108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).