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

C11H23N5O2S — CID 103086515

IUPACN-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1CC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23N5O2S/c1-6-7-12-9(2)10-13-14-15-16(10)8-11(3,4)19(5,17)18/h9,12H,6-8H2,1-5H3
InChIKeyLERZHNVZFOJWGX-UHFFFAOYSA-N
MW289.41 g/mol
LogP0.56
Rot. Bonds7

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

N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103086515) has the molecular formula C11H23N5O2S and a molecular weight of 289.41 g/mol. Its IUPAC name is N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103086515
Molecular FormulaC11H23N5O2S
Molecular Weight289.41 g/mol
Exact Mass289.16
IUPAC NameN-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1CC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23N5O2S/c1-6-7-12-9(2)10-13-14-15-16(10)8-11(3,4)19(5,17)18/h9,12H,6-8H2,1-5H3
InChIKeyLERZHNVZFOJWGX-UHFFFAOYSA-N
XLogP0.56
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103086515) is N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1CC(C)(C)S(C)(=O)=O.
What is the InChIKey of N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is LERZHNVZFOJWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O2S/c1-6-7-12-9(2)10-13-14-15-16(10)8-11(3,4)19(5,17)18/h9,12H,6-8H2,1-5H3.
What are the key properties of N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 289.41 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103086515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).