1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione

C9H17N5S — CID 63318230

IUPAC1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione
SMILESCN(CCn1[nH]nnc1=S)C1CCCC1
InChIInChI=1S/C9H17N5S/c1-13(8-4-2-3-5-8)6-7-14-9(15)10-11-12-14/h8H,2-7H2,1H3,(H,10,12,15)
InChIKeyNDCRHXJQKRUMHL-UHFFFAOYSA-N
MW227.34 g/mol
LogP1.21
Rot. Bonds4

About 1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione

1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione (PubChem CID 63318230) has the molecular formula C9H17N5S and a molecular weight of 227.34 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione
PubChem CID63318230
Molecular FormulaC9H17N5S
Molecular Weight227.34 g/mol
Exact Mass227.12
IUPAC Name1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione
SMILESCN(CCn1[nH]nnc1=S)C1CCCC1
InChIInChI=1S/C9H17N5S/c1-13(8-4-2-3-5-8)6-7-14-9(15)10-11-12-14/h8H,2-7H2,1H3,(H,10,12,15)
InChIKeyNDCRHXJQKRUMHL-UHFFFAOYSA-N
XLogP1.21
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione (CID 63318230) is 1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione is CN(CCn1[nH]nnc1=S)C1CCCC1.
What is the InChIKey of 1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione?
The InChIKey is NDCRHXJQKRUMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S/c1-13(8-4-2-3-5-8)6-7-14-9(15)10-11-12-14/h8H,2-7H2,1H3,(H,10,12,15).
What are the key properties of 1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione?
1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione has a molecular weight of 227.34 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentyl(methyl)amino]ethyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 63318230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).