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

C8H11N5O2S — CID 35358067

IUPAC1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione
SMILESCn1nnnc1SCCN1C(=O)CCC1=O
InChIInChI=1S/C8H11N5O2S/c1-12-8(9-10-11-12)16-5-4-13-6(14)2-3-7(13)15/h2-5H2,1H3
InChIKeyCSDGYHIXZHVPMN-UHFFFAOYSA-N
MW241.28 g/mol
LogP-0.55
Rot. Bonds4

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

1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione (PubChem CID 35358067) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione
PubChem CID35358067
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC Name1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione
SMILESCn1nnnc1SCCN1C(=O)CCC1=O
InChIInChI=1S/C8H11N5O2S/c1-12-8(9-10-11-12)16-5-4-13-6(14)2-3-7(13)15/h2-5H2,1H3
InChIKeyCSDGYHIXZHVPMN-UHFFFAOYSA-N
XLogP-0.55
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 3212940
2-(1-Propyl-1H-tetrazol-5-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 1452244
1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide
CID 4013606
2-(1-Methyltetrazol-5-yl)sulfonyl-1-pyrrolidin-1-ylethanone
CID 172447871
1-[2-(1-Cyclopentyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 9534890
1-methyl-5-[3-(N-ethyl-N-propionylamino)propylthio]-1,2,3,4-tetrazole
CID 12803384
N,N-diethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
CID 12818552
N,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
CID 12818558
4-(1-methyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)butanamide
CID 12818559
4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide
CID 12818575
2-(2,5-Dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetic acid
CID 19374139
N-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
CID 21295358

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione (CID 35358067) is 1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione is Cn1nnnc1SCCN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione?
The InChIKey is CSDGYHIXZHVPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-12-8(9-10-11-12)16-5-4-13-6(14)2-3-7(13)15/h2-5H2,1H3.
What are the key properties of 1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione?
1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione has a molecular weight of 241.28 g/mol, XLogP of -0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 35358067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).