4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol

C15H21NOS — CID 116999268

IUPAC4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol
SMILESOC1CCC(Cc2ccc3c(c2)NCCS3)CC1
InChIInChI=1S/C15H21NOS/c17-13-4-1-11(2-5-13)9-12-3-6-15-14(10-12)16-7-8-18-15/h3,6,10-11,13,16-17H,1-2,4-5,7-9H2
InChIKeyNBCADGQPYFKZQX-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.30
Rot. Bonds2

About 4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol

4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol (PubChem CID 116999268) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol
PubChem CID116999268
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol
SMILESOC1CCC(Cc2ccc3c(c2)NCCS3)CC1
InChIInChI=1S/C15H21NOS/c17-13-4-1-11(2-5-13)9-12-3-6-15-14(10-12)16-7-8-18-15/h3,6,10-11,13,16-17H,1-2,4-5,7-9H2
InChIKeyNBCADGQPYFKZQX-UHFFFAOYSA-N
XLogP3.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol (CID 116999268) is 4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol is OC1CCC(Cc2ccc3c(c2)NCCS3)CC1.
What is the InChIKey of 4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol?
The InChIKey is NBCADGQPYFKZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c17-13-4-1-11(2-5-13)9-12-3-6-15-14(10-12)16-7-8-18-15/h3,6,10-11,13,16-17H,1-2,4-5,7-9H2.
What are the key properties of 4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol?
4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol has a molecular weight of 263.41 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 116999268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).