(1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol

C17H18N4OS — CID 94824821

IUPAC(1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol
SMILESC[C@@H](SC[C@H](O)c1ccccc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C17H18N4OS/c1-13(23-12-16(22)14-8-4-2-5-9-14)17-18-19-20-21(17)15-10-6-3-7-11-15/h2-11,13,16,22H,12H2,1H3/t13-,16+/m1/s1
InChIKeyBEAYZCIYQXGBFK-CJNGLKHVSA-N
MW326.43 g/mol
LogP3.19
Rot. Bonds6

About (1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol

(1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol (PubChem CID 94824821) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is (1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol.

Molecular Properties

Compound Name(1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol
PubChem CID94824821
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name(1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol
SMILESC[C@@H](SC[C@H](O)c1ccccc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C17H18N4OS/c1-13(23-12-16(22)14-8-4-2-5-9-14)17-18-19-20-21(17)15-10-6-3-7-11-15/h2-11,13,16,22H,12H2,1H3/t13-,16+/m1/s1
InChIKeyBEAYZCIYQXGBFK-CJNGLKHVSA-N
XLogP3.19
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole
CID 124506400
3-(1-phenyltetrazol-5-yl)pentan-2-ol
CID 63201375
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 97325529
2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
5-(1-methylsulfonylethyl)-1-phenyltetrazole
CID 47226147
1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol
CID 111462537
N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine
CID 63199558
N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide
CID 167971120
(3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide
CID 95628473
2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole
CID 46435086
1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
CID 15140296

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol?
The IUPAC name of (1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol (CID 94824821) is (1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol.
What is the SMILES notation for (1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol?
The canonical SMILES for (1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol is C[C@@H](SC[C@H](O)c1ccccc1)c1nnnn1-c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol?
The InChIKey is BEAYZCIYQXGBFK-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-13(23-12-16(22)14-8-4-2-5-9-14)17-18-19-20-21(17)15-10-6-3-7-11-15/h2-11,13,16,22H,12H2,1H3/t13-,16+/m1/s1.
What are the key properties of (1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol?
(1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol has a molecular weight of 326.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol is sourced from PubChem (CID 94824821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).