(3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide

C11H20N2OS — CID 143929667

IUPAC(3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide
SMILESC=C(C)/C(=C\C)S(=O)NC1CCNCC1
InChIInChI=1S/C11H20N2OS/c1-4-11(9(2)3)15(14)13-10-5-7-12-8-6-10/h4,10,12-13H,2,5-8H2,1,3H3/b11-4+
InChIKeyISYATZKAZGGGSY-NYYWCZLTSA-N
MW228.36 g/mol
LogP1.47
Rot. Bonds4

About (3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide

(3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide (PubChem CID 143929667) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is (3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide.

Molecular Properties

Compound Name(3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide
PubChem CID143929667
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name(3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide
SMILESC=C(C)/C(=C\C)S(=O)NC1CCNCC1
InChIInChI=1S/C11H20N2OS/c1-4-11(9(2)3)15(14)13-10-5-7-12-8-6-10/h4,10,12-13H,2,5-8H2,1,3H3/b11-4+
InChIKeyISYATZKAZGGGSY-NYYWCZLTSA-N
XLogP1.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine
CID 71079553
2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide
CID 91481326
4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide
CID 134446947
N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine
CID 143457350
4-methylidene-N-piperidin-4-ylcyclohexa-2,5-diene-1-sulfonamide
CID 144172249
1-(1-Methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine
CID 163216363
(3E,5Z)-2-[(2S)-piperidin-2-yl]hepta-1,3,5-triene-4-sulfonamide
CID 167033104
1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine
CID 142457781
(2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide
CID 143180810
1-(4-Propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine
CID 143457440
4-methylidene-N-piperidin-4-ylcyclohexa-2,5-diene-1-sulfonamide
CID 144172250

Frequently Asked Questions

What is the IUPAC name of (3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide?
The IUPAC name of (3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide (CID 143929667) is (3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide.
What is the SMILES notation for (3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide?
The canonical SMILES for (3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide is C=C(C)/C(=C\C)S(=O)NC1CCNCC1.
What is the InChIKey of (3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide?
The InChIKey is ISYATZKAZGGGSY-NYYWCZLTSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-11(9(2)3)15(14)13-10-5-7-12-8-6-10/h4,10,12-13H,2,5-8H2,1,3H3/b11-4+.
What are the key properties of (3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide?
(3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide has a molecular weight of 228.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide is sourced from PubChem (CID 143929667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).