3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine

C6H13N5O2S — CID 62473101

IUPAC3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine
SMILESCS(=O)(=O)Cc1nnnn1CCCN
InChIInChI=1S/C6H13N5O2S/c1-14(12,13)5-6-8-9-10-11(6)4-2-3-7/h2-5,7H2,1H3
InChIKeyPDMXRLPLPZGWHP-UHFFFAOYSA-N
MW219.27 g/mol
LogP-1.43
Rot. Bonds5

About 3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine

3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine (PubChem CID 62473101) has the molecular formula C6H13N5O2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine
PubChem CID62473101
Molecular FormulaC6H13N5O2S
Molecular Weight219.27 g/mol
Exact Mass219.08
IUPAC Name3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine
SMILESCS(=O)(=O)Cc1nnnn1CCCN
InChIInChI=1S/C6H13N5O2S/c1-14(12,13)5-6-8-9-10-11(6)4-2-3-7/h2-5,7H2,1H3
InChIKeyPDMXRLPLPZGWHP-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 3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine (CID 62473101) is 3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine is CS(=O)(=O)Cc1nnnn1CCCN.
What is the InChIKey of 3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine?
The InChIKey is PDMXRLPLPZGWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O2S/c1-14(12,13)5-6-8-9-10-11(6)4-2-3-7/h2-5,7H2,1H3.
What are the key properties of 3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine?
3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine 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 3-[5-(methylsulfonylmethyl)tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 62473101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).