4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol

C13H17N5OS — CID 62808324

IUPAC4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol
SMILESNC1CCC(Sc2nnnn2-c2ccc(O)cc2)CC1
InChIInChI=1S/C13H17N5OS/c14-9-1-7-12(8-2-9)20-13-15-16-17-18(13)10-3-5-11(19)6-4-10/h3-6,9,12,19H,1-2,7-8,14H2
InChIKeyCKZFMSYKWBKYHN-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.73
Rot. Bonds3

About 4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol

4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol (PubChem CID 62808324) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol
PubChem CID62808324
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol
SMILESNC1CCC(Sc2nnnn2-c2ccc(O)cc2)CC1
InChIInChI=1S/C13H17N5OS/c14-9-1-7-12(8-2-9)20-13-15-16-17-18(13)10-3-5-11(19)6-4-10/h3-6,9,12,19H,1-2,7-8,14H2
InChIKeyCKZFMSYKWBKYHN-UHFFFAOYSA-N
XLogP1.73
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol?
The IUPAC name of 4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol (CID 62808324) is 4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol is NC1CCC(Sc2nnnn2-c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol?
The InChIKey is CKZFMSYKWBKYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c14-9-1-7-12(8-2-9)20-13-15-16-17-18(13)10-3-5-11(19)6-4-10/h3-6,9,12,19H,1-2,7-8,14H2.
What are the key properties of 4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol?
4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol has a molecular weight of 291.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminocyclohexyl)sulfanyltetrazol-1-yl]phenol is sourced from PubChem (CID 62808324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).