1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide

C5H12N6O2S — CID 130611826

IUPAC1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide
SMILESCC(CNc1nnnn1C)S(N)(=O)=O
InChIInChI=1S/C5H12N6O2S/c1-4(14(6,12)13)3-7-5-8-9-10-11(5)2/h4H,3H2,1-2H3,(H2,6,12,13)(H,7,8,10)
InChIKeyPGMHYZWDBWLEIE-UHFFFAOYSA-N
MW220.26 g/mol
LogP-1.70
Rot. Bonds4

About 1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide

1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide (PubChem CID 130611826) has the molecular formula C5H12N6O2S and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide.

Molecular Properties

Compound Name1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide
PubChem CID130611826
Molecular FormulaC5H12N6O2S
Molecular Weight220.26 g/mol
Exact Mass220.07
IUPAC Name1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide
SMILESCC(CNc1nnnn1C)S(N)(=O)=O
InChIInChI=1S/C5H12N6O2S/c1-4(14(6,12)13)3-7-5-8-9-10-11(5)2/h4H,3H2,1-2H3,(H2,6,12,13)(H,7,8,10)
InChIKeyPGMHYZWDBWLEIE-UHFFFAOYSA-N
XLogP-1.70
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide?
The IUPAC name of 1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide (CID 130611826) is 1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide.
What is the SMILES notation for 1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide?
The canonical SMILES for 1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide is CC(CNc1nnnn1C)S(N)(=O)=O.
What is the InChIKey of 1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide?
The InChIKey is PGMHYZWDBWLEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N6O2S/c1-4(14(6,12)13)3-7-5-8-9-10-11(5)2/h4H,3H2,1-2H3,(H2,6,12,13)(H,7,8,10).
What are the key properties of 1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide?
1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide has a molecular weight of 220.26 g/mol, XLogP of -1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide is sourced from PubChem (CID 130611826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).