[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine

C6H13N5O2S — CID 62762227

IUPAC[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine
SMILESCS(=O)(=O)CCCn1nnnc1CN
InChIInChI=1S/C6H13N5O2S/c1-14(12,13)4-2-3-11-6(5-7)8-9-10-11/h2-5,7H2,1H3
InChIKeyIKPIGNDAZCFVMX-UHFFFAOYSA-N
MW219.27 g/mol
LogP-1.43
Rot. Bonds5

About [1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine

[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine (PubChem CID 62762227) has the molecular formula C6H13N5O2S and a molecular weight of 219.27 g/mol. Its IUPAC name is [1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine
PubChem CID62762227
Molecular FormulaC6H13N5O2S
Molecular Weight219.27 g/mol
Exact Mass219.08
IUPAC Name[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine
SMILESCS(=O)(=O)CCCn1nnnc1CN
InChIInChI=1S/C6H13N5O2S/c1-14(12,13)4-2-3-11-6(5-7)8-9-10-11/h2-5,7H2,1H3
InChIKeyIKPIGNDAZCFVMX-UHFFFAOYSA-N
XLogP-1.43
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine (CID 62762227) is [1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine is CS(=O)(=O)CCCn1nnnc1CN.
What is the InChIKey of [1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine?
The InChIKey is IKPIGNDAZCFVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O2S/c1-14(12,13)4-2-3-11-6(5-7)8-9-10-11/h2-5,7H2,1H3.
What are the key properties of [1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine?
[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine has a molecular weight of 219.27 g/mol, XLogP of -1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 62762227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).