1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine

C5H11N5S — CID 130589903

IUPAC1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine
SMILESCC(N)CSCc1nn[nH]n1
InChIInChI=1S/C5H11N5S/c1-4(6)2-11-3-5-7-9-10-8-5/h4H,2-3,6H2,1H3,(H,7,8,9,10)
InChIKeyDRPBHYRUJLYXIY-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.22
Rot. Bonds4

About 1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine

1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine (PubChem CID 130589903) has the molecular formula C5H11N5S and a molecular weight of 173.24 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine
PubChem CID130589903
Molecular FormulaC5H11N5S
Molecular Weight173.24 g/mol
Exact Mass173.07
IUPAC Name1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine
SMILESCC(N)CSCc1nn[nH]n1
InChIInChI=1S/C5H11N5S/c1-4(6)2-11-3-5-7-9-10-8-5/h4H,2-3,6H2,1H3,(H,7,8,9,10)
InChIKeyDRPBHYRUJLYXIY-UHFFFAOYSA-N
XLogP-0.22
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine (CID 130589903) is 1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine is CC(N)CSCc1nn[nH]n1.
What is the InChIKey of 1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine?
The InChIKey is DRPBHYRUJLYXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5S/c1-4(6)2-11-3-5-7-9-10-8-5/h4H,2-3,6H2,1H3,(H,7,8,9,10).
What are the key properties of 1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine?
1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine has a molecular weight of 173.24 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine is sourced from PubChem (CID 130589903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).