1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione

C10H13N5O2S — CID 35363829

IUPAC1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCSc1nnnn1C1CC1
InChIInChI=1S/C10H13N5O2S/c16-8-3-4-9(17)14(8)5-6-18-10-11-12-13-15(10)7-1-2-7/h7H,1-6H2
InChIKeyMWTCLKRLLVXQKM-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.25
Rot. Bonds5

About 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione

1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione (PubChem CID 35363829) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione
PubChem CID35363829
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCSc1nnnn1C1CC1
InChIInChI=1S/C10H13N5O2S/c16-8-3-4-9(17)14(8)5-6-18-10-11-12-13-15(10)7-1-2-7/h7H,1-6H2
InChIKeyMWTCLKRLLVXQKM-UHFFFAOYSA-N
XLogP0.25
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione (CID 35363829) is 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCSc1nnnn1C1CC1.
What is the InChIKey of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione?
The InChIKey is MWTCLKRLLVXQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c16-8-3-4-9(17)14(8)5-6-18-10-11-12-13-15(10)7-1-2-7/h7H,1-6H2.
What are the key properties of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione?
1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione has a molecular weight of 267.31 g/mol, XLogP of 0.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 35363829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).