2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol

C10H18N4OS — CID 82924457

IUPAC2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol
SMILESOCCn1nnnc1SC1CCCCCC1
InChIInChI=1S/C10H18N4OS/c15-8-7-14-10(11-12-13-14)16-9-5-3-1-2-4-6-9/h9,15H,1-8H2
InChIKeySICPBDPRPJTDRP-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.48
Rot. Bonds4

About 2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol

2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol (PubChem CID 82924457) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol
PubChem CID82924457
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol
SMILESOCCn1nnnc1SC1CCCCCC1
InChIInChI=1S/C10H18N4OS/c15-8-7-14-10(11-12-13-14)16-9-5-3-1-2-4-6-9/h9,15H,1-8H2
InChIKeySICPBDPRPJTDRP-UHFFFAOYSA-N
XLogP1.48
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine
CID 82923934
2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol
CID 106931185
5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
CID 95691699
2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol
CID 720880
2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde
CID 173388789
(5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine
CID 63315628
3-cyclohexylsulfanyl-1,2,4-triazol-4-amine
CID 130626697
2-[5-(4,4,4-trifluorobutylsulfanyl)tetrazol-1-yl]ethanol
CID 115518634
2-(5-cyclohex-2-en-1-ylsulfanyltetrazol-1-yl)acetic acid
CID 114619596
trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 102732739
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 60714690
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970

Frequently Asked Questions

What is the IUPAC name of 2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol?
The IUPAC name of 2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol (CID 82924457) is 2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol is OCCn1nnnc1SC1CCCCCC1.
What is the InChIKey of 2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol?
The InChIKey is SICPBDPRPJTDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c15-8-7-14-10(11-12-13-14)16-9-5-3-1-2-4-6-9/h9,15H,1-8H2.
What are the key properties of 2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol?
2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol has a molecular weight of 242.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol is sourced from PubChem (CID 82924457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).