(3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine

C19H30N2O2S — CID 122651423

IUPAC(3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine
SMILESC=C/C(=C\C)C1CCN(S(=O)(=O)C/C=C\C=C\C(=C)N(C)C)CC1
InChIInChI=1S/C19H30N2O2S/c1-6-18(7-2)19-12-14-21(15-13-19)24(22,23)16-10-8-9-11-17(3)20(4)5/h6-11,19H,1,3,12-16H2,2,4-5H3/b10-8-,11-9+,18-7+
InChIKeyKTPMBSJUALRTQE-KBZDQXHDSA-N
MW350.53 g/mol
LogP3.35
Rot. Bonds8

About (3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine

(3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine (PubChem CID 122651423) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is (3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine
PubChem CID122651423
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name(3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine
SMILESC=C/C(=C\C)C1CCN(S(=O)(=O)C/C=C\C=C\C(=C)N(C)C)CC1
InChIInChI=1S/C19H30N2O2S/c1-6-18(7-2)19-12-14-21(15-13-19)24(22,23)16-10-8-9-11-17(3)20(4)5/h6-11,19H,1,3,12-16H2,2,4-5H3/b10-8-,11-9+,18-7+
InChIKeyKTPMBSJUALRTQE-KBZDQXHDSA-N
XLogP3.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline
CID 70820955
3-[(Z)-[(2E)-2-ethylidene-4-(1-methylpiperidin-4-yl)-1H-pyrrol-3-ylidene]methyl]-N-methylbut-3-ene-1-sulfonamide
CID 143753949
4-Ethyl-1-[(3-methylcyclopenta-1,4-dien-1-yl)methylsulfonyl]piperidine
CID 155469772
1-Ethylsulfonyl-4-(3-methylcyclohexa-1,5-dien-1-yl)piperazine
CID 167040411
N-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide
CID 170101080
2-[(3aZ,9E)-8-methyl-3-(1-methylpiperidin-4-yl)-1H-cycloocta[b]pyrrol-6-yl]-N-methylethanesulfonamide
CID 173666279
N-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide
CID 10065618
1-butylsulfonyl-4-[(3E)-2-methylhexa-1,3,5-trien-3-yl]piperazine
CID 141821376
1-[2-[(3R,4R)-3,4-dimethylcyclohexa-1,5-dien-1-yl]ethylsulfonyl]-4-methylpiperidine
CID 142177159

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine (CID 122651423) is (3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine is C=C/C(=C\C)C1CCN(S(=O)(=O)C/C=C\C=C\C(=C)N(C)C)CC1.
What is the InChIKey of (3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine?
The InChIKey is KTPMBSJUALRTQE-KBZDQXHDSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-6-18(7-2)19-12-14-21(15-13-19)24(22,23)16-10-8-9-11-17(3)20(4)5/h6-11,19H,1,3,12-16H2,2,4-5H3/b10-8-,11-9+,18-7+.
What are the key properties of (3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine?
(3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine has a molecular weight of 350.53 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N,N-dimethyl-7-[4-[(3E)-penta-1,3-dien-3-yl]piperidin-1-yl]sulfonylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 122651423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).