methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate

C13H23N5O2S — CID 63035729

IUPACmethyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate
SMILESCCNC(CCSc1nnnn1C1CCCC1)C(=O)OC
InChIInChI=1S/C13H23N5O2S/c1-3-14-11(12(19)20-2)8-9-21-13-15-16-17-18(13)10-6-4-5-7-10/h10-11,14H,3-9H2,1-2H3
InChIKeyPUGJPEDRHGXCST-UHFFFAOYSA-N
MW313.43 g/mol
LogP1.42
Rot. Bonds8

About methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate

methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate (PubChem CID 63035729) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate
PubChem CID63035729
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Namemethyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate
SMILESCCNC(CCSc1nnnn1C1CCCC1)C(=O)OC
InChIInChI=1S/C13H23N5O2S/c1-3-14-11(12(19)20-2)8-9-21-13-15-16-17-18(13)10-6-4-5-7-10/h10-11,14H,3-9H2,1-2H3
InChIKeyPUGJPEDRHGXCST-UHFFFAOYSA-N
XLogP1.42
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoate
CID 63033609
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
CID 64648734
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanoate
CID 63035201
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate
CID 63033246
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid
CID 63033610
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64648928
methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 43422824
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386323
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 47134608
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-1-amine
CID 62576620
ethyl 3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate
CID 43242945

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate?
The IUPAC name of methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate (CID 63035729) is methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate.
What is the SMILES notation for methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate?
The canonical SMILES for methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate is CCNC(CCSc1nnnn1C1CCCC1)C(=O)OC.
What is the InChIKey of methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate?
The InChIKey is PUGJPEDRHGXCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-3-14-11(12(19)20-2)8-9-21-13-15-16-17-18(13)10-6-4-5-7-10/h10-11,14H,3-9H2,1-2H3.
What are the key properties of methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate?
methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate has a molecular weight of 313.43 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate is sourced from PubChem (CID 63035729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).