2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide

C13H15ClN6S — CID 62496544

IUPAC2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C13H15ClN6S/c14-9-6-3-7-10(11(9)12(15)16)21-13-17-18-19-20(13)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,15,16)
InChIKeyOARLABWXZPBXMV-UHFFFAOYSA-N
MW322.83 g/mol
LogP2.88
Rot. Bonds4

About 2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide

2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide (PubChem CID 62496544) has the molecular formula C13H15ClN6S and a molecular weight of 322.83 g/mol. Its IUPAC name is 2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
PubChem CID62496544
Molecular FormulaC13H15ClN6S
Molecular Weight322.83 g/mol
Exact Mass322.08
IUPAC Name2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C13H15ClN6S/c14-9-6-3-7-10(11(9)12(15)16)21-13-17-18-19-20(13)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,15,16)
InChIKeyOARLABWXZPBXMV-UHFFFAOYSA-N
XLogP2.88
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.83
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 55079659
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 114893606
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorobenzoic acid
CID 79516180
1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol
CID 63814144
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide
CID 63668339
2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 63818266
(1S)-1-[3-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 78938021
1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
CID 110897654
[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528939
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81293385
3-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanylbenzaldehyde
CID 81160572
3-chloro-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]aniline
CID 63747150

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
The IUPAC name of 2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide (CID 62496544) is 2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1Sc1nnnn1C1CCCC1.
What is the InChIKey of 2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
The InChIKey is OARLABWXZPBXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6S/c14-9-6-3-7-10(11(9)12(15)16)21-13-17-18-19-20(13)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,15,16).
What are the key properties of 2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide has a molecular weight of 322.83 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 62496544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).