2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide

C9H16N6OS — CID 76915210

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide
SMILESCC(Sc1nnnn1C1CCCC1)C(N)=NO
InChIInChI=1S/C9H16N6OS/c1-6(8(10)12-16)17-9-11-13-14-15(9)7-4-2-3-5-7/h6-7,16H,2-5H2,1H3,(H2,10,12)
InChIKeyIFAULQJXHPJUHX-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.02
Rot. Bonds4

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide (PubChem CID 76915210) has the molecular formula C9H16N6OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide
PubChem CID76915210
Molecular FormulaC9H16N6OS
Molecular Weight256.33 g/mol
Exact Mass256.11
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide
SMILESCC(Sc1nnnn1C1CCCC1)C(N)=NO
InChIInChI=1S/C9H16N6OS/c1-6(8(10)12-16)17-9-11-13-14-15(9)7-4-2-3-5-7/h6-7,16H,2-5H2,1H3,(H2,10,12)
InChIKeyIFAULQJXHPJUHX-UHFFFAOYSA-N
XLogP1.02
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide
CID 26012514
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one
CID 55441518
1-(1-adamantyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropan-1-one
CID 46639374
1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517
ethyl 2-(1-cyclopentyltetrazol-5-yl)sulfanylbutanoate
CID 60693245
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)propan-1-one
CID 16570689
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 42887067
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide
CID 46685656
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxypropanimidamide
CID 76975693
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one
CID 129370493
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51244912
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 9464726

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide (CID 76915210) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide is CC(Sc1nnnn1C1CCCC1)C(N)=NO.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide?
The InChIKey is IFAULQJXHPJUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6OS/c1-6(8(10)12-16)17-9-11-13-14-15(9)7-4-2-3-5-7/h6-7,16H,2-5H2,1H3,(H2,10,12).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide has a molecular weight of 256.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide is sourced from PubChem (CID 76915210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).