2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine

C15H21N3O2S — CID 136993672

IUPAC2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine
SMILESNCC(/N=C1\NS(=O)(=O)c2ccccc21)C1CCCCC1
InChIInChI=1S/C15H21N3O2S/c16-10-13(11-6-2-1-3-7-11)17-15-12-8-4-5-9-14(12)21(19,20)18-15/h4-5,8-9,11,13H,1-3,6-7,10,16H2,(H,17,18)
InChIKeyBDLWKUQBNCNUQD-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.63
Rot. Bonds3

About 2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine

2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine (PubChem CID 136993672) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine
PubChem CID136993672
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine
SMILESNCC(/N=C1\NS(=O)(=O)c2ccccc21)C1CCCCC1
InChIInChI=1S/C15H21N3O2S/c16-10-13(11-6-2-1-3-7-11)17-15-12-8-4-5-9-14(12)21(19,20)18-15/h4-5,8-9,11,13H,1-3,6-7,10,16H2,(H,17,18)
InChIKeyBDLWKUQBNCNUQD-UHFFFAOYSA-N
XLogP1.63
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]butanamide
CID 137122528
N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine
CID 135935028
(2S,3S)-N-cyclopentyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-3-methylpentanamide
CID 135749969
N-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N,4-dimethylpentanamide
CID 136933022
N-cyclopentyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-3-methylbutanamide
CID 135883976
N-cyclohexyl-3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanamide
CID 135678152
(2S,3S)-N-[4-(cyclohexylamino)phenyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-3-methylpentanamide
CID 135975865
N'-[(2S,3S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-3-methylpentanoyl]cyclohexanecarbohydrazide
CID 135795961
N-(cyclopropylmethyl)-1,1-dioxo-1,2-benzothiazol-3-imine
CID 135914900
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoate
CID 135596440
N-[2-(aminomethyl)cyclopentyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanamide;hydrochloride
CID 137077497
[(1S)-2-oxocyclohexyl] (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoate
CID 135702579

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine?
The IUPAC name of 2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine (CID 136993672) is 2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine?
The canonical SMILES for 2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine is NCC(/N=C1\NS(=O)(=O)c2ccccc21)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine?
The InChIKey is BDLWKUQBNCNUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c16-10-13(11-6-2-1-3-7-11)17-15-12-8-4-5-9-14(12)21(19,20)18-15/h4-5,8-9,11,13H,1-3,6-7,10,16H2,(H,17,18).
What are the key properties of 2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine?
2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine has a molecular weight of 307.42 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine is sourced from PubChem (CID 136993672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).