(2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide

C17H30N2O2S — CID 143954904

IUPAC(2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide
SMILESC=C(/C=C/CN)/C=C(\C=C/C)S(=O)(=O)NC(CCC)CCC
InChIInChI=1S/C17H30N2O2S/c1-5-9-16(10-6-2)19-22(20,21)17(11-7-3)14-15(4)12-8-13-18/h7-8,11-12,14,16,19H,4-6,9-10,13,18H2,1-3H3/b11-7-,12-8+,17-14+
InChIKeyXGNSHXIKSSOVTJ-MJEZZGNNSA-N
MW326.51 g/mol
LogP3.41
Rot. Bonds11

About (2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide

(2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide (PubChem CID 143954904) has the molecular formula C17H30N2O2S and a molecular weight of 326.51 g/mol. Its IUPAC name is (2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide.

Molecular Properties

Compound Name(2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide
PubChem CID143954904
Molecular FormulaC17H30N2O2S
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC Name(2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide
SMILESC=C(/C=C/CN)/C=C(\C=C/C)S(=O)(=O)NC(CCC)CCC
InChIInChI=1S/C17H30N2O2S/c1-5-9-16(10-6-2)19-22(20,21)17(11-7-3)14-15(4)12-8-13-18/h7-8,11-12,14,16,19H,4-6,9-10,13,18H2,1-3H3/b11-7-,12-8+,17-14+
InChIKeyXGNSHXIKSSOVTJ-MJEZZGNNSA-N
XLogP3.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 21034842
N-[(3S,4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 58597073
N-(4-methylhepta-4,6-dien-3-yl)butane-1-sulfonamide
CID 73735614
5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide
CID 90890370
N-[(3S)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 90955040
9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide
CID 91456208
N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide
CID 143467549
(3E,5E)-7-amino-N-tert-butyl-5,6-dimethylhepta-1,3,5-triene-3-sulfonamide
CID 143922062
N-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide
CID 143931604
2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide
CID 163971904
N-[(9R,10E,12R)-12-(tert-butylsulfonylamino)icosa-1,10,19-trien-9-yl]-2-methylpropane-2-sulfonamide
CID 24749885
N-[(1R,2E,4R,11E)-4-(tert-butylsulfonylamino)cyclooctadeca-2,11-dien-1-yl]-2-methylpropane-2-sulfonamide
CID 24749887

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide?
The IUPAC name of (2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide (CID 143954904) is (2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide.
What is the SMILES notation for (2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide?
The canonical SMILES for (2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide is C=C(/C=C/CN)/C=C(\C=C/C)S(=O)(=O)NC(CCC)CCC.
What is the InChIKey of (2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide?
The InChIKey is XGNSHXIKSSOVTJ-MJEZZGNNSA-N. The full InChI is InChI=1S/C17H30N2O2S/c1-5-9-16(10-6-2)19-22(20,21)17(11-7-3)14-15(4)12-8-13-18/h7-8,11-12,14,16,19H,4-6,9-10,13,18H2,1-3H3/b11-7-,12-8+,17-14+.
What are the key properties of (2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide?
(2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide has a molecular weight of 326.51 g/mol, XLogP of 3.41, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide is sourced from PubChem (CID 143954904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).