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

C8H14N4OS — CID 102732739

IUPACtrans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
SMILESCn1nnnc1S[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C8H14N4OS/c1-12-8(9-10-11-12)14-7-5-3-2-4-6(7)13/h6-7,13H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyVWLLWTMQERRUEA-RNFRBKRXSA-N
MW214.29 g/mol
LogP0.61
Rot. Bonds2

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

trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol (PubChem CID 102732739) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
PubChem CID102732739
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Nametrans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
SMILESCn1nnnc1S[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C8H14N4OS/c1-12-8(9-10-11-12)14-7-5-3-2-4-6(7)13/h6-7,13H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyVWLLWTMQERRUEA-RNFRBKRXSA-N
XLogP0.61
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 60714690
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine
CID 64621182
trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 102732760
N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine
CID 64620986
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cycloheptan-1-ol
CID 104603439
2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64621770
(NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine
CID 98156144
3-[(1R,2R)-2-hydroxycyclohexyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 102732812
3-(1-methyltetrazol-5-yl)sulfanylazepan-2-one
CID 42930234
1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115648631
1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115576378
(1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane
CID 97301352

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol (CID 102732739) is trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol is Cn1nnnc1S[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol?
The InChIKey is VWLLWTMQERRUEA-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-12-8(9-10-11-12)14-7-5-3-2-4-6(7)13/h6-7,13H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol?
trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol has a molecular weight of 214.29 g/mol, XLogP of 0.61, 2 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-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol is sourced from PubChem (CID 102732739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).