methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate

C12H19N5O2S — CID 79653447

IUPACmethyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(Sc2nnnn2C)C1
InChIInChI=1S/C12H19N5O2S/c1-17-11(14-15-16-17)20-9-5-6-12(7-9,10(18)19-2)13-8-3-4-8/h8-9,13H,3-7H2,1-2H3
InChIKeyJDQONOWPOIQZFB-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.52
Rot. Bonds5

About methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate

methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate (PubChem CID 79653447) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate
PubChem CID79653447
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Namemethyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(Sc2nnnn2C)C1
InChIInChI=1S/C12H19N5O2S/c1-17-11(14-15-16-17)20-9-5-6-12(7-9,10(18)19-2)13-8-3-4-8/h8-9,13H,3-7H2,1-2H3
InChIKeyJDQONOWPOIQZFB-UHFFFAOYSA-N
XLogP0.52
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate (CID 79653447) is methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate is COC(=O)C1(NC2CC2)CCC(Sc2nnnn2C)C1.
What is the InChIKey of methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate?
The InChIKey is JDQONOWPOIQZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-17-11(14-15-16-17)20-9-5-6-12(7-9,10(18)19-2)13-8-3-4-8/h8-9,13H,3-7H2,1-2H3.
What are the key properties of methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate?
methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate is sourced from PubChem (CID 79653447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).