5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline

C13H17N5S — CID 55132300

IUPAC5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline
SMILESCc1ccc(Sc2nnnn2C2CCCC2)cc1N
InChIInChI=1S/C13H17N5S/c1-9-6-7-11(8-12(9)14)19-13-15-16-17-18(13)10-4-2-3-5-10/h6-8,10H,2-5,14H2,1H3
InChIKeyHVYFYNQJFWTKJU-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.83
Rot. Bonds3

About 5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline

5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline (PubChem CID 55132300) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline.

Molecular Properties

Compound Name5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline
PubChem CID55132300
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline
SMILESCc1ccc(Sc2nnnn2C2CCCC2)cc1N
InChIInChI=1S/C13H17N5S/c1-9-6-7-11(8-12(9)14)19-13-15-16-17-18(13)10-4-2-3-5-10/h6-8,10H,2-5,14H2,1H3
InChIKeyHVYFYNQJFWTKJU-UHFFFAOYSA-N
XLogP2.83
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-nitroaniline
CID 106752180
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylbenzonitrile
CID 81282782
[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol
CID 63814749
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine
CID 63805114
2-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylbenzoic acid
CID 107282642
2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanylbenzoic acid
CID 62944778
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-1-amine
CID 63805118
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455
3-(1-cyclooctyltetrazol-5-yl)-4-methylaniline
CID 61353650
[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528934
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
CID 80882968
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine
CID 61228113

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline?
The IUPAC name of 5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline (CID 55132300) is 5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline.
What is the SMILES notation for 5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline?
The canonical SMILES for 5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline is Cc1ccc(Sc2nnnn2C2CCCC2)cc1N.
What is the InChIKey of 5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline?
The InChIKey is HVYFYNQJFWTKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-9-6-7-11(8-12(9)14)19-13-15-16-17-18(13)10-4-2-3-5-10/h6-8,10H,2-5,14H2,1H3.
What are the key properties of 5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline?
5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline has a molecular weight of 275.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline is sourced from PubChem (CID 55132300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).