trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol

C10H16N4OS — CID 102732760

IUPACtrans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Sc1nnnn1C1CC1
InChIInChI=1S/C10H16N4OS/c15-8-3-1-2-4-9(8)16-10-11-12-13-14(10)7-5-6-7/h7-9,15H,1-6H2/t8-,9-/m1/s1
InChIKeyOUUHCUXMTZYLPO-RKDXNWHRSA-N
MW240.33 g/mol
LogP1.40
Rot. Bonds3

About trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol

trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol (PubChem CID 102732760) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol
PubChem CID102732760
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Nametrans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Sc1nnnn1C1CC1
InChIInChI=1S/C10H16N4OS/c15-8-3-1-2-4-9(8)16-10-11-12-13-14(10)7-5-6-7/h7-9,15H,1-6H2/t8-,9-/m1/s1
InChIKeyOUUHCUXMTZYLPO-RKDXNWHRSA-N
XLogP1.40
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine
CID 64649338
trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 102732739
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 60714690
2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile
CID 43293137
2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid
CID 55180519
[2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine
CID 43530537
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64649515
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexane-1-carboxylic acid
CID 63098588
2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol
CID 63314390
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine
CID 43530581
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol (CID 102732760) is trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Sc1nnnn1C1CC1.
What is the InChIKey of trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol?
The InChIKey is OUUHCUXMTZYLPO-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16N4OS/c15-8-3-1-2-4-9(8)16-10-11-12-13-14(10)7-5-6-7/h7-9,15H,1-6H2/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol?
trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol has a molecular weight of 240.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol is sourced from PubChem (CID 102732760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).