2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine

C9H19N5O2S — CID 55109102

IUPAC2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnnn1CCS(C)(=O)=O
InChIInChI=1S/C9H19N5O2S/c1-9(2,3)10-7-8-11-12-13-14(8)5-6-17(4,15)16/h10H,5-7H2,1-4H3
InChIKeyHKXJWLSLQOGRMA-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.39
Rot. Bonds5

About 2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 55109102) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID55109102
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC Name2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnnn1CCS(C)(=O)=O
InChIInChI=1S/C9H19N5O2S/c1-9(2,3)10-7-8-11-12-13-14(8)5-6-17(4,15)16/h10H,5-7H2,1-4H3
InChIKeyHKXJWLSLQOGRMA-UHFFFAOYSA-N
XLogP-0.39
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine (CID 55109102) is 2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine is CC(C)(C)NCc1nnnn1CCS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is HKXJWLSLQOGRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-9(2,3)10-7-8-11-12-13-14(8)5-6-17(4,15)16/h10H,5-7H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 261.35 g/mol, XLogP of -0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 55109102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).