[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine

C14H19N5S — CID 43530530

IUPAC[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine
SMILESNCc1ccc(CSc2nnnn2C2CCCC2)cc1
InChIInChI=1S/C14H19N5S/c15-9-11-5-7-12(8-6-11)10-20-14-16-17-18-19(14)13-3-1-2-4-13/h5-8,13H,1-4,9-10,15H2
InChIKeyZENQKDPWVCBQAJ-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.54
Rot. Bonds5

About [4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine

[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine (PubChem CID 43530530) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is [4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine
PubChem CID43530530
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine
SMILESNCc1ccc(CSc2nnnn2C2CCCC2)cc1
InChIInChI=1S/C14H19N5S/c15-9-11-5-7-12(8-6-11)10-20-14-16-17-18-19(14)13-3-1-2-4-13/h5-8,13H,1-4,9-10,15H2
InChIKeyZENQKDPWVCBQAJ-UHFFFAOYSA-N
XLogP2.54
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione
CID 1329086
1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole
CID 9450968
[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528934
1-cyclopentyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]tetrazole
CID 52520611
1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole
CID 47124307
3-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-2-methylaniline
CID 43509449
3-chloro-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]aniline
CID 63747150
1-cyclopentyl-5-[(3-nitrophenyl)methylsulfanyl]tetrazole
CID 27093992
2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]propanoic acid
CID 105345079
1-cyclopropyl-5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]tetrazole
CID 39536267
methyl 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoate
CID 26388915
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970

Frequently Asked Questions

What is the IUPAC name of [4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine?
The IUPAC name of [4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine (CID 43530530) is [4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine is NCc1ccc(CSc2nnnn2C2CCCC2)cc1.
What is the InChIKey of [4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine?
The InChIKey is ZENQKDPWVCBQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c15-9-11-5-7-12(8-6-11)10-20-14-16-17-18-19(14)13-3-1-2-4-13/h5-8,13H,1-4,9-10,15H2.
What are the key properties of [4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine?
[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine has a molecular weight of 289.41 g/mol, XLogP of 2.54, 5 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)sulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 43530530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).