4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol

C12H17N5OS — CID 123413482

IUPAC4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
SMILESOC1CCC(Cc2cccs2)(Nc2nn[nH]n2)CC1
InChIInChI=1S/C12H17N5OS/c18-9-3-5-12(6-4-9,8-10-2-1-7-19-10)13-11-14-16-17-15-11/h1-2,7,9,18H,3-6,8H2,(H2,13,14,15,16,17)
InChIKeyBSQUBJDRLGQUJU-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.59
Rot. Bonds4

About 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol

4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol (PubChem CID 123413482) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
PubChem CID123413482
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
SMILESOC1CCC(Cc2cccs2)(Nc2nn[nH]n2)CC1
InChIInChI=1S/C12H17N5OS/c18-9-3-5-12(6-4-9,8-10-2-1-7-19-10)13-11-14-16-17-15-11/h1-2,7,9,18H,3-6,8H2,(H2,13,14,15,16,17)
InChIKeyBSQUBJDRLGQUJU-UHFFFAOYSA-N
XLogP1.59
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol (CID 123413482) is 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol is OC1CCC(Cc2cccs2)(Nc2nn[nH]n2)CC1.
What is the InChIKey of 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol?
The InChIKey is BSQUBJDRLGQUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c18-9-3-5-12(6-4-9,8-10-2-1-7-19-10)13-11-14-16-17-15-11/h1-2,7,9,18H,3-6,8H2,(H2,13,14,15,16,17).
What are the key properties of 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol?
4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol has a molecular weight of 279.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 123413482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).