4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol

C12H21N5OS — CID 81041668

IUPAC4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol
SMILESOC1(CSc2nnnn2C2CCCC2)CCNCC1
InChIInChI=1S/C12H21N5OS/c18-12(5-7-13-8-6-12)9-19-11-14-15-16-17(11)10-3-1-2-4-10/h10,13,18H,1-9H2
InChIKeyAARNNTGTYWNDKZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.99
Rot. Bonds4

About 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol

4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol (PubChem CID 81041668) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol
PubChem CID81041668
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol
SMILESOC1(CSc2nnnn2C2CCCC2)CCNCC1
InChIInChI=1S/C12H21N5OS/c18-12(5-7-13-8-6-12)9-19-11-14-15-16-17(11)10-3-1-2-4-10/h10,13,18H,1-9H2
InChIKeyAARNNTGTYWNDKZ-UHFFFAOYSA-N
XLogP0.99
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine
CID 62357887
1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517
N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 47134608
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
CID 63901665
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole
CID 43445911
N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
CID 3870642
3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol
CID 64897515
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629924

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol?
The IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol (CID 81041668) is 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol.
What is the SMILES notation for 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol?
The canonical SMILES for 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol is OC1(CSc2nnnn2C2CCCC2)CCNCC1.
What is the InChIKey of 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol?
The InChIKey is AARNNTGTYWNDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c18-12(5-7-13-8-6-12)9-19-11-14-15-16-17(11)10-3-1-2-4-10/h10,13,18H,1-9H2.
What are the key properties of 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol?
4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol has a molecular weight of 283.40 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]piperidin-4-ol is sourced from PubChem (CID 81041668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).