(3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide

C11H12N4O2S — CID 7164310

IUPAC(3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@H](n2nnnc2-c2ccccc2)C1
InChIInChI=1S/C11H12N4O2S/c16-18(17)7-6-10(8-18)15-11(12-13-14-15)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeySLGWABDOGQWOCU-JTQLQIEISA-N
MW264.31 g/mol
LogP0.70
Rot. Bonds2

About (3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide

(3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide (PubChem CID 7164310) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is (3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide
PubChem CID7164310
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name(3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@H](n2nnnc2-c2ccccc2)C1
InChIInChI=1S/C11H12N4O2S/c16-18(17)7-6-10(8-18)15-11(12-13-14-15)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeySLGWABDOGQWOCU-JTQLQIEISA-N
XLogP0.70
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide
CID 7164309
2-[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]aniline
CID 61352222
4-[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]-2-methylaniline
CID 61353686
3-[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]-4-fluoroaniline
CID 61353877
3-(3-chloro-5-phenyl-1,2,4-triazol-4-yl)thiane 1,1-dioxide
CID 63915756
3-[1-(1,1-dioxothian-3-yl)tetrazol-5-yl]-4-methylaniline
CID 63924749
5-amino-1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazole-4-carbonitrile
CID 79165359
4-(1,1-dioxothian-3-yl)-3-phenyl-1H-1,2,4-triazole-5-thione
CID 63922199
4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline
CID 63090376
5-(3-tert-butylphenyl)-1-cyclopropyltetrazole
CID 166569740
1-(1,1-dioxothiolan-3-yl)-4-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 43336820
N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55565305

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide?
The IUPAC name of (3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide (CID 7164310) is (3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for (3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for (3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide is O=S1(=O)CC[C@H](n2nnnc2-c2ccccc2)C1.
What is the InChIKey of (3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide?
The InChIKey is SLGWABDOGQWOCU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N4O2S/c16-18(17)7-6-10(8-18)15-11(12-13-14-15)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1.
What are the key properties of (3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide?
(3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide has a molecular weight of 264.31 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 7164310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).