[2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine

C13H17N5S — CID 43530629

IUPAC[2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine
SMILESNCC1CCCC1Sc1nnnn1-c1ccccc1
InChIInChI=1S/C13H17N5S/c14-9-10-5-4-8-12(10)19-13-15-16-17-18(13)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9,14H2
InChIKeyCBCNCSKZHYRCKY-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.88
Rot. Bonds4

About [2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine

[2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine (PubChem CID 43530629) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is [2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine
PubChem CID43530629
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name[2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine
SMILESNCC1CCCC1Sc1nnnn1-c1ccccc1
InChIInChI=1S/C13H17N5S/c14-9-10-5-4-8-12(10)19-13-15-16-17-18(13)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9,14H2
InChIKeyCBCNCSKZHYRCKY-UHFFFAOYSA-N
XLogP1.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-5-[[(1S,2R,5R,6S)-6-(1-phenyltetrazol-5-yl)sulfanyl-9-thiabicyclo[3.3.1]nonan-2-yl]sulfanyl]tetrazole
CID 100890204
2-(1-phenyltetrazol-5-yl)sulfanylcyclobutane-1-carboxylic acid
CID 80996667
2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one
CID 4825695
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
4-(1-phenyltetrazol-5-yl)sulfanylbut-2-en-1-amine
CID 77110853
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 2408269
5-[[(2R)-oxan-2-yl]methylsulfanyl]-1-phenyltetrazole
CID 8003667
3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 43753027
N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine
CID 64927678
4-amino-2-(1-phenyltetrazol-5-yl)sulfanylbutanoic acid
CID 64695475
(NE)-N-[(1S,3R,4S)-3-(1-phenyltetrazol-5-yl)sulfanyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 98156294
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64648593

Frequently Asked Questions

What is the IUPAC name of [2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine?
The IUPAC name of [2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine (CID 43530629) is [2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine.
What is the SMILES notation for [2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine?
The canonical SMILES for [2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine is NCC1CCCC1Sc1nnnn1-c1ccccc1.
What is the InChIKey of [2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine?
The InChIKey is CBCNCSKZHYRCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c14-9-10-5-4-8-12(10)19-13-15-16-17-18(13)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9,14H2.
What are the key properties of [2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine?
[2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine has a molecular weight of 275.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine is sourced from PubChem (CID 43530629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).