(2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide

C14H26N2OS — CID 143180810

IUPAC(2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide
SMILESC=C(C)/C=C\C(=C/C)S(=O)NCCCCCNC
InChIInChI=1S/C14H26N2OS/c1-5-14(10-9-13(2)3)18(17)16-12-8-6-7-11-15-4/h5,9-10,15-16H,2,6-8,11-12H2,1,3-4H3/b10-9-,14-5+
InChIKeyYBFOJPFBFZUDNR-DVBADTPPSA-N
MW270.44 g/mol
LogP2.67
Rot. Bonds10

About (2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide

(2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide (PubChem CID 143180810) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is (2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide.

Molecular Properties

Compound Name(2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide
PubChem CID143180810
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name(2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide
SMILESC=C(C)/C=C\C(=C/C)S(=O)NCCCCCNC
InChIInChI=1S/C14H26N2OS/c1-5-14(10-9-13(2)3)18(17)16-12-8-6-7-11-15-4/h5,9-10,15-16H,2,6-8,11-12H2,1,3-4H3/b10-9-,14-5+
InChIKeyYBFOJPFBFZUDNR-DVBADTPPSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,6S)-6-methyl-8-(methylamino)octa-1,3-diene-3-sulfonamide
CID 89073975
9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide
CID 91456208
(3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide
CID 134550002
ethane;S-[4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-yl]thiohydroxylamine
CID 143615673
(3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide
CID 143929667
S-[4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-yl]thiohydroxylamine
CID 143615674

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide?
The IUPAC name of (2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide (CID 143180810) is (2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide.
What is the SMILES notation for (2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide?
The canonical SMILES for (2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide is C=C(C)/C=C\C(=C/C)S(=O)NCCCCCNC.
What is the InChIKey of (2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide?
The InChIKey is YBFOJPFBFZUDNR-DVBADTPPSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-5-14(10-9-13(2)3)18(17)16-12-8-6-7-11-15-4/h5,9-10,15-16H,2,6-8,11-12H2,1,3-4H3/b10-9-,14-5+.
What are the key properties of (2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide?
(2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide has a molecular weight of 270.44 g/mol, XLogP of 2.67, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-methyl-N-[5-(methylamino)pentyl]hepta-2,4,6-triene-3-sulfinamide is sourced from PubChem (CID 143180810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).