3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide

C19H20ClN3OS — CID 139346562

IUPAC3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cc(Cl)cc3c2Nc2ccccc2S3)C1
InChIInChI=1S/C19H20ClN3OS/c20-12-9-15(23-19(24)11-4-3-5-13(21)8-11)18-17(10-12)25-16-7-2-1-6-14(16)22-18/h1-2,6-7,9-11,13,22H,3-5,8,21H2,(H,23,24)
InChIKeyLCGXKAYVAIRIJS-UHFFFAOYSA-N
MW373.91 g/mol
LogP5.00
Rot. Bonds2

About 3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide

3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide (PubChem CID 139346562) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide
PubChem CID139346562
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cc(Cl)cc3c2Nc2ccccc2S3)C1
InChIInChI=1S/C19H20ClN3OS/c20-12-9-15(23-19(24)11-4-3-5-13(21)8-11)18-17(10-12)25-16-7-2-1-6-14(16)22-18/h1-2,6-7,9-11,13,22H,3-5,8,21H2,(H,23,24)
InChIKeyLCGXKAYVAIRIJS-UHFFFAOYSA-N
XLogP5.00
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.91
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminocyclohexanecarbonyl)amino]-4-chlorobenzoic acid
CID 63046093
3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide
CID 63042160
(1S)-3-(aminomethyl)-N-[8-fluoro-3-(trifluoromethyl)-10H-phenothiazin-1-yl]cyclohexane-1-carboxamide
CID 166761806
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616
3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide
CID 63043774
3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119725658

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide (CID 139346562) is 3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2cc(Cl)cc3c2Nc2ccccc2S3)C1.
What is the InChIKey of 3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is LCGXKAYVAIRIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c20-12-9-15(23-19(24)11-4-3-5-13(21)8-11)18-17(10-12)25-16-7-2-1-6-14(16)22-18/h1-2,6-7,9-11,13,22H,3-5,8,21H2,(H,23,24).
What are the key properties of 3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide?
3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 373.91 g/mol, XLogP of 5.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-10H-phenothiazin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 139346562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).