2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile

C10H13N5S — CID 43293137

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Sc1nnnn1C1CC1
InChIInChI=1S/C10H13N5S/c11-6-7-2-1-3-9(7)16-10-12-13-14-15(10)8-4-5-8/h7-9H,1-5H2
InChIKeyLELRMLFQEPHPMT-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.79
Rot. Bonds3

About 2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile

2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile (PubChem CID 43293137) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile
PubChem CID43293137
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Sc1nnnn1C1CC1
InChIInChI=1S/C10H13N5S/c11-6-7-2-1-3-9(7)16-10-12-13-14-15(10)8-4-5-8/h7-9H,1-5H2
InChIKeyLELRMLFQEPHPMT-UHFFFAOYSA-N
XLogP1.79
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 102732760
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine
CID 64649338
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cycloheptane-1-carbonitrile
CID 43293039
2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid
CID 55180519
[2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine
CID 43530537
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64649515
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexane-1-carboxylic acid
CID 63098588
3-(1-cyclopropyltetrazol-5-yl)sulfanylbutanenitrile
CID 60914500
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine
CID 43530581
N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 79194698
3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile
CID 43368522
5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole
CID 43445926

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile (CID 43293137) is 2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile is N#CC1CCCC1Sc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile?
The InChIKey is LELRMLFQEPHPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c11-6-7-2-1-3-9(7)16-10-12-13-14-15(10)8-4-5-8/h7-9H,1-5H2.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile?
2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile has a molecular weight of 235.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile is sourced from PubChem (CID 43293137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).