N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline

C21H27N3O2S — CID 5161686

IUPACN,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline
SMILESCC1CCN(S(=O)(=O)c2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)CC1
InChIInChI=1S/C21H27N3O2S/c1-17-12-14-24(15-13-17)27(25,26)21-10-6-19(7-11-21)22-16-18-4-8-20(9-5-18)23(2)3/h4-11,16-17H,12-15H2,1-3H3/b22-16+
InChIKeyDOEWTCPOFZEMNO-CJLVFECKSA-N
MW385.53 g/mol
LogP3.92
Rot. Bonds5

About N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline

N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline (PubChem CID 5161686) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline
PubChem CID5161686
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline
SMILESCC1CCN(S(=O)(=O)c2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)CC1
InChIInChI=1S/C21H27N3O2S/c1-17-12-14-24(15-13-17)27(25,26)21-10-6-19(7-11-21)22-16-18-4-8-20(9-5-18)23(2)3/h4-11,16-17H,12-15H2,1-3H3/b22-16+
InChIKeyDOEWTCPOFZEMNO-CJLVFECKSA-N
XLogP3.92
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine
CID 5164537
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 969315
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methoxyphenyl)methanimine
CID 4511187
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylmethanimine
CID 968608
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
[4-[4-[[4-(dimethylamino)phenyl]iminomethyl]phenyl]piperidin-1-yl]methanedithiol
CID 58131371
N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 17402330
4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3541583
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline (CID 5161686) is N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline is CC1CCN(S(=O)(=O)c2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)CC1.
What is the InChIKey of N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline?
The InChIKey is DOEWTCPOFZEMNO-CJLVFECKSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-17-12-14-24(15-13-17)27(25,26)21-10-6-19(7-11-21)22-16-18-4-8-20(9-5-18)23(2)3/h4-11,16-17H,12-15H2,1-3H3/b22-16+.
What are the key properties of N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline?
N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline has a molecular weight of 385.53 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline is sourced from PubChem (CID 5161686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).