(2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol

C18H20N2OS — CID 137467471

IUPAC(2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol
SMILESN[C@@H]1CCCC(N2c3ccccc3Sc3ccccc32)C1O
InChIInChI=1S/C18H20N2OS/c19-12-6-5-9-15(18(12)21)20-13-7-1-3-10-16(13)22-17-11-4-2-8-14(17)20/h1-4,7-8,10-12,15,18,21H,5-6,9,19H2/t12-,15?,18?/m1/s1
InChIKeyGNRSSPQWPWMLEV-QCGKTTIDSA-N
MW312.44 g/mol
LogP3.53
Rot. Bonds1

About (2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol

(2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol (PubChem CID 137467471) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is (2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol
PubChem CID137467471
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name(2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol
SMILESN[C@@H]1CCCC(N2c3ccccc3Sc3ccccc32)C1O
InChIInChI=1S/C18H20N2OS/c19-12-6-5-9-15(18(12)21)20-13-7-1-3-10-16(13)22-17-11-4-2-8-14(17)20/h1-4,7-8,10-12,15,18,21H,5-6,9,19H2/t12-,15?,18?/m1/s1
InChIKeyGNRSSPQWPWMLEV-QCGKTTIDSA-N
XLogP3.53
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol?
The IUPAC name of (2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol (CID 137467471) is (2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol.
What is the SMILES notation for (2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol?
The canonical SMILES for (2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol is N[C@@H]1CCCC(N2c3ccccc3Sc3ccccc32)C1O.
What is the InChIKey of (2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol?
The InChIKey is GNRSSPQWPWMLEV-QCGKTTIDSA-N. The full InChI is InChI=1S/C18H20N2OS/c19-12-6-5-9-15(18(12)21)20-13-7-1-3-10-16(13)22-17-11-4-2-8-14(17)20/h1-4,7-8,10-12,15,18,21H,5-6,9,19H2/t12-,15?,18?/m1/s1.
What are the key properties of (2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol?
(2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol has a molecular weight of 312.44 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol is sourced from PubChem (CID 137467471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).