1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol

C20H24N2OS — CID 23819908

IUPAC1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol
SMILESOC(CNC1CCCC1)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H24N2OS/c23-16(13-21-15-7-1-2-8-15)14-22-17-9-3-5-11-19(17)24-20-12-6-4-10-18(20)22/h3-6,9-12,15-16,21,23H,1-2,7-8,13-14H2
InChIKeySNMGJHBLXSGNIV-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.18
Rot. Bonds5

About 1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol

1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol (PubChem CID 23819908) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol
PubChem CID23819908
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol
SMILESOC(CNC1CCCC1)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H24N2OS/c23-16(13-21-15-7-1-2-8-15)14-22-17-9-3-5-11-19(17)24-20-12-6-4-10-18(20)22/h3-6,9-12,15-16,21,23H,1-2,7-8,13-14H2
InChIKeySNMGJHBLXSGNIV-UHFFFAOYSA-N
XLogP4.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol
CID 4079548
1-phenothiazin-10-yl-3-(4-propan-2-ylanilino)propan-2-ol;hydrochloride
CID 18593399
[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenothiazin-10-ylpropanoate
CID 4843139
(2S)-1-(4-methoxyanilino)-3-phenothiazin-10-ylpropan-2-ol
CID 1186401
(2S)-1-(cyclohexylamino)-3-[4-[(2S)-3-(cyclohexylamino)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 7446257
(2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708305
1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol
CID 139567013
1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione
CID 43447627
1-[[S-(4-chlorophenyl)-N-methylsulfonimidoyl]amino]-3-phenothiazin-10-ylpropan-2-ol
CID 166592849
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
[(2S)-2-hydroxy-3-phenothiazin-10-ylpropyl]-(2-phenylethyl)azanium
CID 2280038
(2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(cyclohexylamino)propan-2-ol
CID 42589633

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol?
The IUPAC name of 1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol (CID 23819908) is 1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol.
What is the SMILES notation for 1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol?
The canonical SMILES for 1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol is OC(CNC1CCCC1)CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of 1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol?
The InChIKey is SNMGJHBLXSGNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c23-16(13-21-15-7-1-2-8-15)14-22-17-9-3-5-11-19(17)24-20-12-6-4-10-18(20)22/h3-6,9-12,15-16,21,23H,1-2,7-8,13-14H2.
What are the key properties of 1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol?
1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol has a molecular weight of 340.49 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol is sourced from PubChem (CID 23819908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).