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

C10H21N5OS — CID 103086942

IUPACN-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C(C)CS(C)=O
InChIInChI=1S/C10H21N5OS/c1-5-6-11-9(3)10-12-13-14-15(10)8(2)7-17(4)16/h8-9,11H,5-7H2,1-4H3
InChIKeyTUEFDKHLIVDNMI-UHFFFAOYSA-N
MW259.38 g/mol
LogP0.67
Rot. Bonds7

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

N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103086942) has the molecular formula C10H21N5OS and a molecular weight of 259.38 g/mol. Its IUPAC name is N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103086942
Molecular FormulaC10H21N5OS
Molecular Weight259.38 g/mol
Exact Mass259.15
IUPAC NameN-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C(C)CS(C)=O
InChIInChI=1S/C10H21N5OS/c1-5-6-11-9(3)10-12-13-14-15(10)8(2)7-17(4)16/h8-9,11H,5-7H2,1-4H3
InChIKeyTUEFDKHLIVDNMI-UHFFFAOYSA-N
XLogP0.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086242
N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085388
N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085558
N-[1-[1-(1-cyclopropylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085495
N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085944
N-methyl-1-(1-pentan-2-yltetrazol-5-yl)ethanamine
CID 103085322
N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine
CID 103085937
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085593
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085783
N-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine
CID 103086438

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103086942) is N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1C(C)CS(C)=O.
What is the InChIKey of N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is TUEFDKHLIVDNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5OS/c1-5-6-11-9(3)10-12-13-14-15(10)8(2)7-17(4)16/h8-9,11H,5-7H2,1-4H3.
What are the key properties of N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 259.38 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103086942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).