(E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide

C15H32N2O2S — CID 167082481

IUPAC(E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide
SMILESCC/C=C(\CC(CC)C(N)CC)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C15H32N2O2S/c1-7-10-13(11-12(8-2)14(16)9-3)20(18,19)17-15(4,5)6/h10,12,14,17H,7-9,11,16H2,1-6H3/b13-10+
InChIKeyFTDQVRFFJIPJTM-JLHYYAGUSA-N
MW304.50 g/mol
LogP3.15
Rot. Bonds8

About (E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide

(E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide (PubChem CID 167082481) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is (E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide.

Molecular Properties

Compound Name(E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide
PubChem CID167082481
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name(E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide
SMILESCC/C=C(\CC(CC)C(N)CC)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C15H32N2O2S/c1-7-10-13(11-12(8-2)14(16)9-3)20(18,19)17-15(4,5)6/h10,12,14,17H,7-9,11,16H2,1-6H3/b13-10+
InChIKeyFTDQVRFFJIPJTM-JLHYYAGUSA-N
XLogP3.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide?
The IUPAC name of (E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide (CID 167082481) is (E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide.
What is the SMILES notation for (E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide?
The canonical SMILES for (E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide is CC/C=C(\CC(CC)C(N)CC)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of (E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide?
The InChIKey is FTDQVRFFJIPJTM-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-7-10-13(11-12(8-2)14(16)9-3)20(18,19)17-15(4,5)6/h10,12,14,17H,7-9,11,16H2,1-6H3/b13-10+.
What are the key properties of (E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide?
(E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide has a molecular weight of 304.50 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide is sourced from PubChem (CID 167082481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).