(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol

C13H16N4OS — CID 103960726

IUPAC(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Sc1nnnn1C1CC1
InChIInChI=1S/C13H16N4OS/c1-2-11(18)10-5-3-4-6-12(10)19-13-14-15-16-17(13)9-7-8-9/h3-6,9,11,18H,2,7-8H2,1H3/t11-/m1/s1
InChIKeyDYWXPYCHJMEGNC-LLVKDONJSA-N
MW276.36 g/mol
LogP2.60
Rot. Bonds5

About (1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol

(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol (PubChem CID 103960726) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is (1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol
PubChem CID103960726
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Sc1nnnn1C1CC1
InChIInChI=1S/C13H16N4OS/c1-2-11(18)10-5-3-4-6-12(10)19-13-14-15-16-17(13)9-7-8-9/h3-6,9,11,18H,2,7-8H2,1H3/t11-/m1/s1
InChIKeyDYWXPYCHJMEGNC-LLVKDONJSA-N
XLogP2.60
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine
CID 63819127
[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528939
(1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol
CID 114057132
N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63804432
1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
CID 110897654
(1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol
CID 166236999
2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 63818266
1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol
CID 63814144
1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-ol
CID 112680041
5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole
CID 47124356
N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine
CID 114864111
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,6-difluorophenyl)ethanol
CID 110897667

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol (CID 103960726) is (1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol is CC[C@@H](O)c1ccccc1Sc1nnnn1C1CC1.
What is the InChIKey of (1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol?
The InChIKey is DYWXPYCHJMEGNC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-2-11(18)10-5-3-4-6-12(10)19-13-14-15-16-17(13)9-7-8-9/h3-6,9,11,18H,2,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol?
(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol has a molecular weight of 276.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol is sourced from PubChem (CID 103960726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).