N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide

C24H29N3O2S2 — CID 55658366

IUPACN-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C24H29N3O2S2/c28-23(25-17-24(10-16-30-18-24)26-12-14-29-15-13-26)9-11-27-19-5-1-3-7-21(19)31-22-8-4-2-6-20(22)27/h1-8H,9-18H2,(H,25,28)
InChIKeyUHQBXEMKOADVTM-UHFFFAOYSA-N
MW455.65 g/mol
LogP4.00
Rot. Bonds6

About N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide

N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide (PubChem CID 55658366) has the molecular formula C24H29N3O2S2 and a molecular weight of 455.65 g/mol. Its IUPAC name is N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide.

Molecular Properties

Compound NameN-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide
PubChem CID55658366
Molecular FormulaC24H29N3O2S2
Molecular Weight455.65 g/mol
Exact Mass455.17
IUPAC NameN-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C24H29N3O2S2/c28-23(25-17-24(10-16-30-18-24)26-12-14-29-15-13-26)9-11-27-19-5-1-3-7-21(19)31-22-8-4-2-6-20(22)27/h1-8H,9-18H2,(H,25,28)
InChIKeyUHQBXEMKOADVTM-UHFFFAOYSA-N
XLogP4.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.65
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
2-benzhydryloxy-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154623
2-benzhydryloxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154620
benzyl N-[4-[(3-morpholin-4-ylthiolan-3-yl)methylamino]-4-oxobutyl]carbamate
CID 55842494
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
CID 55658582
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide
CID 37151951
2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
2-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119862768
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51092973
2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 119862791

Frequently Asked Questions

What is the IUPAC name of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide?
The IUPAC name of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide (CID 55658366) is N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide.
What is the SMILES notation for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide?
The canonical SMILES for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide is O=C(CCN1c2ccccc2Sc2ccccc21)NCC1(N2CCOCC2)CCSC1.
What is the InChIKey of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide?
The InChIKey is UHQBXEMKOADVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S2/c28-23(25-17-24(10-16-30-18-24)26-12-14-29-15-13-26)9-11-27-19-5-1-3-7-21(19)31-22-8-4-2-6-20(22)27/h1-8H,9-18H2,(H,25,28).
What are the key properties of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide?
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide has a molecular weight of 455.65 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide is sourced from PubChem (CID 55658366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).