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

C12H23N5S — CID 114121872

IUPACN-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCCSC1CCCC1n1nnnc1CNC(C)C
InChIInChI=1S/C12H23N5S/c1-4-18-11-7-5-6-10(11)17-12(14-15-16-17)8-13-9(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyBSJORCDWEQYOQH-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.02
Rot. Bonds6

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

N-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 114121872) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is N-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID114121872
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC NameN-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCCSC1CCCC1n1nnnc1CNC(C)C
InChIInChI=1S/C12H23N5S/c1-4-18-11-7-5-6-10(11)17-12(14-15-16-17)8-13-9(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyBSJORCDWEQYOQH-UHFFFAOYSA-N
XLogP2.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine (CID 114121872) is N-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine is CCSC1CCCC1n1nnnc1CNC(C)C.
What is the InChIKey of N-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is BSJORCDWEQYOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-4-18-11-7-5-6-10(11)17-12(14-15-16-17)8-13-9(2)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 269.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114121872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).