1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one

C14H15N5OS2 — CID 9245005

IUPAC1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one
SMILESO=c1n(CN2CCC[C@H]2c2cccs2)nnn1-c1cccs1
InChIInChI=1S/C14H15N5OS2/c20-14-18(15-16-19(14)13-6-3-9-22-13)10-17-7-1-4-11(17)12-5-2-8-21-12/h2-3,5-6,8-9,11H,1,4,7,10H2/t11-/m0/s1
InChIKeyDADMKTMMXGCDHD-NSHDSACASA-N
MW333.44 g/mol
LogP2.35
Rot. Bonds4

About 1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one

1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one (PubChem CID 9245005) has the molecular formula C14H15N5OS2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one.

Molecular Properties

Compound Name1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one
PubChem CID9245005
Molecular FormulaC14H15N5OS2
Molecular Weight333.44 g/mol
Exact Mass333.07
IUPAC Name1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one
SMILESO=c1n(CN2CCC[C@H]2c2cccs2)nnn1-c1cccs1
InChIInChI=1S/C14H15N5OS2/c20-14-18(15-16-19(14)13-6-3-9-22-13)10-17-7-1-4-11(17)12-5-2-8-21-12/h2-3,5-6,8-9,11H,1,4,7,10H2/t11-/m0/s1
InChIKeyDADMKTMMXGCDHD-NSHDSACASA-N
XLogP2.35
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-chlorophenyl)-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazole-5-thione
CID 9244747
1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 18093199
N,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide
CID 9244835
1-(2-methylpropyl)-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 18170819
1-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one
CID 56796159
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-yltetrazol-5-one
CID 9232367
1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione
CID 9244879
3-[4-methyl-5-sulfanylidene-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,2,4-triazol-3-yl]propanamide
CID 9244902
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41401781
1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one
CID 84584234

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one?
The IUPAC name of 1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one (CID 9245005) is 1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one.
What is the SMILES notation for 1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one?
The canonical SMILES for 1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one is O=c1n(CN2CCC[C@H]2c2cccs2)nnn1-c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one?
The InChIKey is DADMKTMMXGCDHD-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N5OS2/c20-14-18(15-16-19(14)13-6-3-9-22-13)10-17-7-1-4-11(17)12-5-2-8-21-12/h2-3,5-6,8-9,11H,1,4,7,10H2/t11-/m0/s1.
What are the key properties of 1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one?
1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one has a molecular weight of 333.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazol-5-one is sourced from PubChem (CID 9245005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).